General Information of the Compound
| Compound ID |
CP0205085
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| Compound Name |
2,4-diamino-5,6-disubstituted pyrimidine, 10
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| Synonyms |
1027330-97-7
2,4-diamino-5,6-disubstituted pyrimidine, 10
5H-Benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-amine, 4-((3R)-3-amino-1-pyrrolidinyl)-6,7-dihydro-
6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
A-943931
BDBM26396
CHEMBL502347
MolPort-035-936-414
NCGC00370827-02
Q598HK01AO
SCHEMBL602812
SDTRYHWIXVHTLM-GFCCVEGCSA-N
UNII-Q598HK01AO
ZINC40977166
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| Structure |
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| Formula |
C17H21N5
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| Molecular Weight |
295.39
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| Canonical SMILES |
N[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21
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| InChI |
InChI=1S/C17H21N5/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21)/t12-/m1/s1
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| InChIKey |
SDTRYHWIXVHTLM-GFCCVEGCSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04730, Histamine H4 receptor
Protein ID: PT02519, Histamine H4 receptor
Protein ID: PT01711, Histamine H4 receptor
Clinical Information about the Compound