N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide

C19H17ClN4O2 — CID 109317289

IUPACN-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C19H17ClN4O2/c1-12-7-8-13(11-14(12)20)22-18(25)16-9-10-21-19(24-16)23-15-5-3-4-6-17(15)26-2/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyPTFPRBVHUALRSF-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.44
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109317289) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109317289
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C19H17ClN4O2/c1-12-7-8-13(11-14(12)20)22-18(25)16-9-10-21-19(24-16)23-15-5-3-4-6-17(15)26-2/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyPTFPRBVHUALRSF-UHFFFAOYSA-N
XLogP4.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide 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

methyl 2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317304
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
N-(3-chloro-4-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317314
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317442
N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317549
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
2-(3-chloro-4-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308656
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315415
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337395

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide (CID 109317289) is N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide is COc1ccccc1Nc1nccc(C(=O)Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is PTFPRBVHUALRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-7-8-13(11-14(12)20)22-18(25)16-9-10-21-19(24-16)23-15-5-3-4-6-17(15)26-2/h3-11H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).