2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide

C15H16ClN3O2 — CID 114584182

IUPAC2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
SMILESCCc1nc(Cl)cc(=O)n1CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H16ClN3O2/c1-3-13-18-12(16)8-15(21)19(13)9-14(20)17-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3,(H,17,20)
InChIKeyPIYRLQMDQAYUJN-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide

2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 114584182) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID114584182
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
SMILESCCc1nc(Cl)cc(=O)n1CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H16ClN3O2/c1-3-13-18-12(16)8-15(21)19(13)9-14(20)17-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3,(H,17,20)
InChIKeyPIYRLQMDQAYUJN-UHFFFAOYSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 114584365
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 114584421
2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 7748031
6-chloro-2-ethyl-3-(2-methylidenebutyl)pyrimidin-4-one
CID 114584434
N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201916
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
2-(5-amino-4-methyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 79354801
N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201894
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114584435
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3398584

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide (CID 114584182) is 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide is CCc1nc(Cl)cc(=O)n1CC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is PIYRLQMDQAYUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-3-13-18-12(16)8-15(21)19(13)9-14(20)17-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide?
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 305.77 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 114584182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).