2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide

C18H16N4O — CID 109313399

IUPAC2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Nc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H16N4O/c1-22(15-10-6-3-7-11-15)17(23)16-12-13-19-18(21-16)20-14-8-4-2-5-9-14/h2-13H,1H3,(H,19,20,21)
InChIKeyIBUUCHDLDUEQLS-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.50
Rot. Bonds4

About 2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide

2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109313399) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109313399
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Nc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H16N4O/c1-22(15-10-6-3-7-11-15)17(23)16-12-13-19-18(21-16)20-14-8-4-2-5-9-14/h2-13H,1H3,(H,19,20,21)
InChIKeyIBUUCHDLDUEQLS-UHFFFAOYSA-N
XLogP3.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313994
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288
N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314355
2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109297170
ethyl 2-[[4-[methyl(phenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109314366
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
1-(2-anilinopyrimidin-4-yl)propan-1-one
CID 10198463
2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109315894
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
2-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109308221
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109313399) is 2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide is CN(C(=O)c1ccnc(Nc2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is IBUUCHDLDUEQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-22(15-10-6-3-7-11-15)17(23)16-12-13-19-18(21-16)20-14-8-4-2-5-9-14/h2-13H,1H3,(H,19,20,21).
What are the key properties of 2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide?
2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).