N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide

C19H24N4O2 — CID 109333144

IUPACN-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C)nc(NCCC(C)C)n2)c1
InChIInChI=1S/C19H24N4O2/c1-12(2)8-9-20-19-21-13(3)10-17(23-19)18(25)22-16-7-5-6-15(11-16)14(4)24/h5-7,10-12H,8-9H2,1-4H3,(H,22,25)(H,20,21,23)
InChIKeyKZJZSVFCLNOZMU-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.70
Rot. Bonds7

About N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109333144) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109333144
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C)nc(NCCC(C)C)n2)c1
InChIInChI=1S/C19H24N4O2/c1-12(2)8-9-20-19-21-13(3)10-17(23-19)18(25)22-16-7-5-6-15(11-16)14(4)24/h5-7,10-12H,8-9H2,1-4H3,(H,22,25)(H,20,21,23)
InChIKeyKZJZSVFCLNOZMU-UHFFFAOYSA-N
XLogP3.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333161
N-(3,4-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333175
N-(4-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333116
N-(3,5-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333178
N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327646
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666
6-N-(3-acetylphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099391
N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333115
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323620
6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109333110
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109333144) is N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(C)nc(NCCC(C)C)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is KZJZSVFCLNOZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)8-9-20-19-21-13(3)10-17(23-19)18(25)22-16-7-5-6-15(11-16)14(4)24/h5-7,10-12H,8-9H2,1-4H3,(H,22,25)(H,20,21,23).
What are the key properties of N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).