2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

C15H18N4O — CID 109360462

IUPAC2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)C)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H18N4O/c1-10(2)16-14-9-13(17-11(3)18-14)15(20)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyOSWILBWJKOVJTP-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.86
Rot. Bonds4

About 2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109360462) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109360462
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)C)cc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H18N4O/c1-10(2)16-14-9-13(17-11(3)18-14)15(20)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyOSWILBWJKOVJTP-UHFFFAOYSA-N
XLogP2.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369164
N-(3,4-difluorophenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360567
N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369217
N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369209
N-(3-chloro-2-methylphenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360491
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
6-(butan-2-ylamino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109362419
2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529
6-(butan-2-ylamino)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109362412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109360462) is 2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is Cc1nc(NC(C)C)cc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is OSWILBWJKOVJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(2)16-14-9-13(17-11(3)18-14)15(20)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109360462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).