N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide

C19H18N4O — CID 109313994

IUPACN-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O/c1-14-8-10-15(11-9-14)21-19-20-13-12-17(22-19)18(24)23(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21,22)
InChIKeyJTJYHMWZLBWNSY-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.81
Rot. Bonds4

About N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide

N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109313994) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109313994
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O/c1-14-8-10-15(11-9-14)21-19-20-13-12-17(22-19)18(24)23(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21,22)
InChIKeyJTJYHMWZLBWNSY-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109313399
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314355
ethyl 2-[[4-[methyl(phenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109314366
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314145
2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109297170
2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109315894
2-N-methyl-4-N-(4-methylphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091261
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109309366

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109313994) is N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)N(C)c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is JTJYHMWZLBWNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-8-10-15(11-9-14)21-19-20-13-12-17(22-19)18(24)23(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21,22).
What are the key properties of N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).