N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide

C16H19N3O2 — CID 121119576

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cccc(C)c2)cn1
InChIInChI=1S/C16H19N3O2/c1-3-14-10-15(20)19(11-18-14)8-7-17-16(21)13-6-4-5-12(2)9-13/h4-6,9-11H,3,7-8H2,1-2H3,(H,17,21)
InChIKeyTWNWSDOXQCWGLS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide (PubChem CID 121119576) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
PubChem CID121119576
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cccc(C)c2)cn1
InChIInChI=1S/C16H19N3O2/c1-3-14-10-15(20)19(11-18-14)8-7-17-16(21)13-6-4-5-12(2)9-13/h4-6,9-11H,3,7-8H2,1-2H3,(H,17,21)
InChIKeyTWNWSDOXQCWGLS-UHFFFAOYSA-N
XLogP1.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 121119568
1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121119862
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 121119682
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121119662
8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119543
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
CID 146088463
2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119506
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 121119752
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121119799
2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119643
3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide (CID 121119576) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide is CCc1cc(=O)n(CCNC(=O)c2cccc(C)c2)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide?
The InChIKey is TWNWSDOXQCWGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-14-10-15(20)19(11-18-14)8-7-17-16(21)13-6-4-5-12(2)9-13/h4-6,9-11H,3,7-8H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 121119576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).