N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide

C17H19N3O2 — CID 108807515

IUPACN-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide
SMILESCc1cc(C)nc(NC(=O)CCCC(=O)c2ccccc2)n1
InChIInChI=1S/C17H19N3O2/c1-12-11-13(2)19-17(18-12)20-16(22)10-6-9-15(21)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,18,19,20,22)
InChIKeyGICWOEXMKLKMKO-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.09
Rot. Bonds6

About N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide

N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide (PubChem CID 108807515) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide
PubChem CID108807515
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide
SMILESCc1cc(C)nc(NC(=O)CCCC(=O)c2ccccc2)n1
InChIInChI=1S/C17H19N3O2/c1-12-11-13(2)19-17(18-12)20-16(22)10-6-9-15(21)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,18,19,20,22)
InChIKeyGICWOEXMKLKMKO-UHFFFAOYSA-N
XLogP3.09
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
N-(4,6-dimethylpyrimidin-2-yl)hept-5-ynamide
CID 154505217
3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoylamino]benzoic acid
CID 108787702
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108746207
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide
CID 108742508
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
N-[2-(4-methylanilino)phenyl]-5-oxo-5-phenylpentanamide
CID 108745056
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
2-[2-(aminomethyl)phenyl]-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 81317594
1-(benzenecarbonothioyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
CID 851774
N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
CID 108807598
4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide (CID 108807515) is N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide is Cc1cc(C)nc(NC(=O)CCCC(=O)c2ccccc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide?
The InChIKey is GICWOEXMKLKMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-11-13(2)19-17(18-12)20-16(22)10-6-9-15(21)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,18,19,20,22).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide?
N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide has a molecular weight of 297.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 108807515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).