General Information of the Compound
Compound ID
CP0287973
Compound Name
2-[(2-butoxypyrimidin-4-yl)amino]benzoic acid
    Show/Hide
Synonyms
2-(2-butoxypyrimidin-4-ylamino)benzoic acid
2-[(2-butoxypyrimidin-4-yl)amino]benzoic Acid
4-anilinopyrimidine 1
AC1LZD2G
AKOS003630983
BDBM15977
CHEMBL242488
MCULE-6330252818
MolPort-002-549-430
STL297947
ZINC2272106
    Show/Hide
Structure
Formula
C15H17N3O3
Molecular Weight
287.319
Canonical SMILES
CCCCOc1nccc(Nc2ccccc2C(O)=O)n1
    Show/Hide
InChI
InChI=1S/C15H17N3O3/c1-2-3-10-21-15-16-9-8-13(18-15)17-12-7-5-4-6-11(12)14(19)20/h4-9H,2-3,10H2,1H3,(H,19,20)(H,16,17,18)
    Show/Hide
InChIKey
YTFVMUTWNFDKIY-UHFFFAOYSA-N
Physicochemical Property
logP
3.0973
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
84.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
21

"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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 1897784
ChEMBL ID
CHEMBL242488
Clinical Information about the Compound
Drug 1 ( 2-(2-butoxypyrimidin-4-ylamino)benzoic acid )
Drug Name 2-(2-butoxypyrimidin-4-ylamino)benzoic acid
Target(s)
Stress-activated protein kinase JNK1 (JNK1)
Inhibitor