6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

C19H18N4O3 — CID 109358693

IUPAC6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccccc3OC)ncn2)cc1
InChIInChI=1S/C19H18N4O3/c1-25-14-9-7-13(8-10-14)22-19(24)16-11-18(21-12-20-16)23-15-5-3-4-6-17(15)26-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyJZVZOPJGXPBWAQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.49
Rot. Bonds6

About 6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109358693) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109358693
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccccc3OC)ncn2)cc1
InChIInChI=1S/C19H18N4O3/c1-25-14-9-7-13(8-10-14)22-19(24)16-11-18(21-12-20-16)23-15-5-3-4-6-17(15)26-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyJZVZOPJGXPBWAQ-UHFFFAOYSA-N
XLogP3.49
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357562
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
6-(2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349205
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357381
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963
6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358673
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109358693) is 6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccccc3OC)ncn2)cc1.
What is the InChIKey of 6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is JZVZOPJGXPBWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-14-9-7-13(8-10-14)22-19(24)16-11-18(21-12-20-16)23-15-5-3-4-6-17(15)26-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).