N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide

C18H22N4O2 — CID 109321317

IUPACN-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1nc(C)cc(C(=O)Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C18H22N4O2/c1-5-11(2)19-18-20-12(3)10-16(22-18)17(24)21-15-8-6-14(7-9-15)13(4)23/h6-11H,5H2,1-4H3,(H,21,24)(H,19,20,22)
InChIKeyCXCZXRBQJOAPLP-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.45
Rot. Bonds6

About N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109321317) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109321317
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1nc(C)cc(C(=O)Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C18H22N4O2/c1-5-11(2)19-18-20-12(3)10-16(22-18)17(24)21-15-8-6-14(7-9-15)13(4)23/h6-11H,5H2,1-4H3,(H,21,24)(H,19,20,22)
InChIKeyCXCZXRBQJOAPLP-UHFFFAOYSA-N
XLogP3.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321277
2-(butan-2-ylamino)-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321315
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321274
2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109321282
N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335926
2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
methyl 3-[[2-(butan-2-ylamino)-6-methylpyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109321323
N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340711
2-(butan-2-ylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109321368
2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319063
N-(4-acetylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327430
N-(4-acetylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322046

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide (CID 109321317) is N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide is CCC(C)Nc1nc(C)cc(C(=O)Nc2ccc(C(C)=O)cc2)n1.
What is the InChIKey of N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is CXCZXRBQJOAPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-5-11(2)19-18-20-12(3)10-16(22-18)17(24)21-15-8-6-14(7-9-15)13(4)23/h6-11H,5H2,1-4H3,(H,21,24)(H,19,20,22).
What are the key properties of N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).