3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide

C20H21N5O2 — CID 25138017

IUPAC3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCC(C)c1ccc(O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C20H21N5O2/c1-12(2)16-7-6-15(26)11-17(16)24-18-8-9-22-20(25-18)23-14-5-3-4-13(10-14)19(21)27/h3-12,26H,1-2H3,(H2,21,27)(H2,22,23,24,25)
InChIKeyHISBJLBMPIBCDT-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.89
Rot. Bonds6

About 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide

3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide (PubChem CID 25138017) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide
PubChem CID25138017
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCC(C)c1ccc(O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C20H21N5O2/c1-12(2)16-7-6-15(26)11-17(16)24-18-8-9-22-20(25-18)23-14-5-3-4-13(10-14)19(21)27/h3-12,26H,1-2H3,(H2,21,27)(H2,22,23,24,25)
InChIKeyHISBJLBMPIBCDT-UHFFFAOYSA-N
XLogP3.89
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lck inhibitor 2
CID 25138012
2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide
CID 16058637
1-Amino-5-(5-Hydroxy-2-Methylphenyl)-7,8,9,10-Tetrahydropyrimido[4,5-C]isoquinolin-6(5h)-One
CID 66545750
2-({2-[(3-Hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647251
2-({2-[(4-Hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647252
2-({2-[(3-Hydroxy-2-methylphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647259
3-({2-[(3-Hydroxyphenyl)amino]pyrimidin-4-yl}amino)naphthalene-2-carboxylic acid
CID 23647268
2-({5-Fluoro-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647270
2-({5-Bromo-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647272
3-({4-[(3-Hydroxyphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138013
3-({4-[(3-Hydroxy-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138014
3-((4-((3-Hydroxy-4-methylphenyl)amino)pyrimidin-2-yl)amino)benzamide
CID 25138015

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide (CID 25138017) is 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide is CC(C)c1ccc(O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide?
The InChIKey is HISBJLBMPIBCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12(2)16-7-6-15(26)11-17(16)24-18-8-9-22-20(25-18)23-14-5-3-4-13(10-14)19(21)27/h3-12,26H,1-2H3,(H2,21,27)(H2,22,23,24,25).
What are the key properties of 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide?
3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-hydroxy-2-propan-2-ylanilino)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 25138017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).