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

C11H14ClN3O2 — CID 114582160

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cnc(Cl)cc1=O)C1CC1
InChIInChI=1S/C11H14ClN3O2/c1-2-15(8-3-4-8)11(17)6-14-7-13-9(12)5-10(14)16/h5,7-8H,2-4,6H2,1H3
InChIKeyWNUQVQKSBJFLIN-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.91
Rot. Bonds4

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 114582160) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
PubChem CID114582160
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cnc(Cl)cc1=O)C1CC1
InChIInChI=1S/C11H14ClN3O2/c1-2-15(8-3-4-8)11(17)6-14-7-13-9(12)5-10(14)16/h5,7-8H,2-4,6H2,1H3
InChIKeyWNUQVQKSBJFLIN-UHFFFAOYSA-N
XLogP0.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-isopropylpyrimidin-4(3h)-one
CID 114582242
6-Chloro-3-cyclopropylpyrimidin-4(3H)-one
CID 119030366
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604380
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604425
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 113604544
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 113604615
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114581631

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide (CID 114582160) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)Cn1cnc(Cl)cc1=O)C1CC1.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is WNUQVQKSBJFLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-2-15(8-3-4-8)11(17)6-14-7-13-9(12)5-10(14)16/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 255.70 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 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-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 114582160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).