4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide

C15H17N3O2 — CID 121121030

IUPAC4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2cncc(C)c2=O)cc1
InChIInChI=1S/C15H17N3O2/c1-11-3-5-13(6-4-11)14(19)17-7-8-18-10-16-9-12(2)15(18)20/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyGHCFRHLPQYLYRX-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.29
Rot. Bonds4

About 4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide

4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 121121030) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
PubChem CID121121030
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2cncc(C)c2=O)cc1
InChIInChI=1S/C15H17N3O2/c1-11-3-5-13(6-4-11)14(19)17-7-8-18-10-16-9-12(2)15(18)20/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyGHCFRHLPQYLYRX-UHFFFAOYSA-N
XLogP1.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-nitrobenzamide
CID 121121235
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121121360
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121042
N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121121115
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
3-methoxy-2-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]indazole-6-carboxamide
CID 121121318
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121121180
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 121121088
1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121388
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121150
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121121241

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide (CID 121121030) is 4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCn2cncc(C)c2=O)cc1.
What is the InChIKey of 4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is GHCFRHLPQYLYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-5-13(6-4-11)14(19)17-7-8-18-10-16-9-12(2)15(18)20/h3-6,9-10H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121121030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).