N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide

C18H15ClN4O2 — CID 109268603

IUPACN-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1Nc1ncc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C18H15ClN4O2/c1-25-16-9-5-4-8-15(16)23-18-20-10-12(11-21-18)17(24)22-14-7-3-2-6-13(14)19/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyRJEYHJUMUXUUKP-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.13
Rot. Bonds5

About N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide

N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109268603) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109268603
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1Nc1ncc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C18H15ClN4O2/c1-25-16-9-5-4-8-15(16)23-18-20-10-12(11-21-18)17(24)22-14-7-3-2-6-13(14)19/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyRJEYHJUMUXUUKP-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-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-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109267159
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265367
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267813
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109268637
2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109268970
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide (CID 109268603) is N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide is COc1ccccc1Nc1ncc(C(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is RJEYHJUMUXUUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-16-9-5-4-8-15(16)23-18-20-10-12(11-21-18)17(24)22-14-7-3-2-6-13(14)19/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).