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

C8H10ClN3O2 — CID 114582100

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C8H10ClN3O2/c1-2-10-7(13)4-12-5-11-6(9)3-8(12)14/h3,5H,2,4H2,1H3,(H,10,13)
InChIKeyYFMMBLSJRVOKPM-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.03
Rot. Bonds3

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide (PubChem CID 114582100) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
PubChem CID114582100
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C8H10ClN3O2/c1-2-10-7(13)4-12-5-11-6(9)3-8(12)14/h3,5H,2,4H2,1H3,(H,10,13)
InChIKeyYFMMBLSJRVOKPM-UHFFFAOYSA-N
XLogP0.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane
CID 143220714
3-[2-(Ethylamino)ethyl]pyrimidin-4-one
CID 63768302
N-butyl-2-(6-oxopyrimidin-1-yl)acetamide
CID 95921861
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 113604190
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 113604243
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604293

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide (CID 114582100) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide is CCNC(=O)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The InChIKey is YFMMBLSJRVOKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-2-10-7(13)4-12-5-11-6(9)3-8(12)14/h3,5H,2,4H2,1H3,(H,10,13).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide has a molecular weight of 215.64 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 114582100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).