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

C19H18N4O2 — CID 109313739

IUPAC2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C19H18N4O2/c1-13-7-3-4-8-14(13)21-18(24)16-11-12-20-19(23-16)22-15-9-5-6-10-17(15)25-2/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyCHXWNKLJMYFJJU-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.79
Rot. Bonds5

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

2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109313739) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109313739
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C19H18N4O2/c1-13-7-3-4-8-14(13)21-18(24)16-11-12-20-19(23-16)22-15-9-5-6-10-17(15)25-2/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyCHXWNKLJMYFJJU-UHFFFAOYSA-N
XLogP3.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313745
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289
N-(2,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317538
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109316717
2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313797
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315277
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317549

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109313739) is 2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide is COc1ccccc1Nc1nccc(C(=O)Nc2ccccc2C)n1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is CHXWNKLJMYFJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-7-3-4-8-14(13)21-18(24)16-11-12-20-19(23-16)22-15-9-5-6-10-17(15)25-2/h3-12H,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).