3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide

C19H19N5O2 — CID 25138023

IUPAC3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCOc1ccc(C)c(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1
InChIInChI=1S/C19H19N5O2/c1-12-6-7-15(26-2)11-16(12)23-17-8-9-21-19(24-17)22-14-5-3-4-13(10-14)18(20)25/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyBOAIVMCZTNFADH-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.38
Rot. Bonds6

About 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide

3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide (PubChem CID 25138023) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide
PubChem CID25138023
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCOc1ccc(C)c(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1
InChIInChI=1S/C19H19N5O2/c1-12-6-7-15(26-2)11-16(12)23-17-8-9-21-19(24-17)22-14-5-3-4-13(10-14)18(20)25/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyBOAIVMCZTNFADH-UHFFFAOYSA-N
XLogP3.38
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(5-methoxy-2-methylanilino)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

Vs-4718
CID 25073775
2-((5-chloro-2-((2-methoxy-4-morpholin-4-ylphenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide
CID 9934347
6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-11-methyl-
CID 53322923
Dclk1-IN-1
CID 134457640
Lck inhibitor 2
CID 25138012
2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide
CID 16058637
6-(2,6-dichlorophenyl)-2-[(3-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327895
Aurora Kinase Inhibitor II
CID 6610278
Pyridinyl pyrimidine 40
CID 11655925
2-[(2-Phenoxypyrimidin-4-yl)amino]benzoic acid
CID 23647245
2-[2-Methoxy-4-(4-methyl-1-piperazinyl)anilino]-5,11-dimethyl-6-pyrimido[4,5-b][1,4]benzodiazepinone
CID 46844147
5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 134457974

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide (CID 25138023) is 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide is COc1ccc(C)c(Nc2ccnc(Nc3cccc(C(N)=O)c3)n2)c1.
What is the InChIKey of 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide?
The InChIKey is BOAIVMCZTNFADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-6-7-15(26-2)11-16(12)23-17-8-9-21-19(24-17)22-14-5-3-4-13(10-14)18(20)25/h3-11H,1-2H3,(H2,20,25)(H2,21,22,23,24).
What are the key properties of 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide?
3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-methoxy-2-methylanilino)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 25138023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).