N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109355962

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(Nc2ccccc2C)ncn1
InChIInChI=1S/C20H19ClN4O2/c1-12-6-4-5-7-15(12)24-19-10-17(22-11-23-19)20(26)25-16-8-13(2)14(21)9-18(16)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyUTXFYZFHVAIDPF-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.75
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109355962) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
PubChem CID109355962
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(Nc2ccccc2C)ncn1
InChIInChI=1S/C20H19ClN4O2/c1-12-6-4-5-7-15(12)24-19-10-17(22-11-23-19)20(26)25-16-8-13(2)14(21)9-18(16)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyUTXFYZFHVAIDPF-UHFFFAOYSA-N
XLogP4.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)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

N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293413
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291518
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265367
ethyl 2-[[6-(2-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109355963
6-(2,4-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358773
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291396
N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357807

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide (CID 109355962) is N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(Nc2ccccc2C)ncn1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is UTXFYZFHVAIDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-6-4-5-7-15(12)24-19-10-17(22-11-23-19)20(26)25-16-8-13(2)14(21)9-18(16)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).