2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide

C18H16N4O — CID 109334524

IUPAC2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H16N4O/c1-13-12-16(17(23)20-14-8-4-2-5-9-14)22-18(19-13)21-15-10-6-3-7-11-15/h2-12H,1H3,(H,20,23)(H,19,21,22)
InChIKeyPTUBASALNOJEDE-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds4

About 2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide

2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109334524) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109334524
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H16N4O/c1-13-12-16(17(23)20-14-8-4-2-5-9-14)22-18(19-13)21-15-10-6-3-7-11-15/h2-12H,1H3,(H,20,23)(H,19,21,22)
InChIKeyPTUBASALNOJEDE-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335162
2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336871
6-methyl-N-phenyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320119
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide (CID 109334524) is 2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is PTUBASALNOJEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-12-16(17(23)20-14-8-4-2-5-9-14)22-18(19-13)21-15-10-6-3-7-11-15/h2-12H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide?
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).