2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C19H18N4O2 — CID 109334565

IUPAC2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-13-12-17(18(24)21-15-8-10-16(25-2)11-9-15)23-19(20-13)22-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyFUXOCIZBAYMOSJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.79
Rot. Bonds5

About 2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109334565) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109334565
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-13-12-17(18(24)21-15-8-10-16(25-2)11-9-15)23-19(20-13)22-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyFUXOCIZBAYMOSJ-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

2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337603
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337577
2-(2-tert-butylanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336670

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109334565) is 2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is FUXOCIZBAYMOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-12-17(18(24)21-15-8-10-16(25-2)11-9-15)23-19(20-13)22-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-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-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).