2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide

C19H18N4O2 — CID 109334663

IUPAC2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O2/c1-13-11-17(18(24)21-14-7-4-3-5-8-14)23-19(20-13)22-15-9-6-10-16(12-15)25-2/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyKSBXDEYSXXINOE-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.79
Rot. Bonds5

About 2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide

2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109334663) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109334663
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O2/c1-13-11-17(18(24)21-14-7-4-3-5-8-14)23-19(20-13)22-15-9-6-10-16(12-15)25-2/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyKSBXDEYSXXINOE-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-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337491
methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109337500
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337603
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide (CID 109334663) is 2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide is COc1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3)n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is KSBXDEYSXXINOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-11-17(18(24)21-14-7-4-3-5-8-14)23-19(20-13)22-15-9-6-10-16(12-15)25-2/h3-12H,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide?
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-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-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).