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

C10H12ClN3O2 — CID 114582228

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cnc(Cl)cc1=O)C1CC1
InChIInChI=1S/C10H12ClN3O2/c1-13(7-2-3-7)10(16)5-14-6-12-8(11)4-9(14)15/h4,6-7H,2-3,5H2,1H3
InChIKeyRORCLZCHIMPAOQ-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.52
Rot. Bonds3

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide (PubChem CID 114582228) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
PubChem CID114582228
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cnc(Cl)cc1=O)C1CC1
InChIInChI=1S/C10H12ClN3O2/c1-13(7-2-3-7)10(16)5-14-6-12-8(11)4-9(14)15/h4,6-7H,2-3,5H2,1H3
InChIKeyRORCLZCHIMPAOQ-UHFFFAOYSA-N
XLogP0.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.52
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-methylacetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide (CID 114582228) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide is CN(C(=O)Cn1cnc(Cl)cc1=O)C1CC1.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is RORCLZCHIMPAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-13(7-2-3-7)10(16)5-14-6-12-8(11)4-9(14)15/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 241.68 g/mol, XLogP of 0.52, 3 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-methylacetamide is sourced from PubChem (CID 114582228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).