2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide

C9H12ClN3O2 — CID 114581674

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-3-11-8(14)5-13-6(2)12-7(10)4-9(13)15/h4H,3,5H2,1-2H3,(H,11,14)
InChIKeyKALHNQBUBWIECD-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.34
Rot. Bonds3

About 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide (PubChem CID 114581674) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
PubChem CID114581674
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-3-11-8(14)5-13-6(2)12-7(10)4-9(13)15/h4H,3,5H2,1-2H3,(H,11,14)
InChIKeyKALHNQBUBWIECD-UHFFFAOYSA-N
XLogP0.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604180
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582323
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
N-ethyl-2-[2-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]acetamide
CID 60084806
6-oxo-N-propyl-1H-pyrimidine-2-carboxamide
CID 172236194
N-butyl-6-oxo-1H-pyrimidine-2-carboxamide
CID 172999715
N-ethyl-6-oxo-1H-pyrimidine-2-carboxamide
CID 172999903
6-oxo-N-propan-2-yl-1H-pyrimidine-2-carboxamide
CID 172999971
4-Amino-6-oxo-1-propylpyrimidine-2-carboxamide
CID 173128226
2-(2,4-Dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63770273

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide (CID 114581674) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide is CCNC(=O)Cn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The InChIKey is KALHNQBUBWIECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-3-11-8(14)5-13-6(2)12-7(10)4-9(13)15/h4H,3,5H2,1-2H3,(H,11,14).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide has a molecular weight of 229.67 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 114581674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).