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

C12H16ClN3O2 — CID 114582212

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NC1CCCCC1
InChIInChI=1S/C12H16ClN3O2/c13-10-6-12(18)16(8-14-10)7-11(17)15-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,15,17)
InChIKeyACSKCMPISWFRNS-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.35
Rot. Bonds3

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide (PubChem CID 114582212) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
PubChem CID114582212
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NC1CCCCC1
InChIInChI=1S/C12H16ClN3O2/c13-10-6-12(18)16(8-14-10)7-11(17)15-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,15,17)
InChIKeyACSKCMPISWFRNS-UHFFFAOYSA-N
XLogP1.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534909
3-[2-(Cyclohexylamino)ethyl]-6-methylpyrimidin-4-one
CID 62562547
3-[2-(Cyclohexylamino)ethyl]pyrimidin-4-one
CID 63795614
N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308225
N-cyclohexyl-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79375765
N-cyclohexyl-2-(6-oxopyrimidin-1(6H)-yl)acetamide
CID 95921860
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170
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-cyclopentylacetamide
CID 113604189
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 113604199
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide (CID 114582212) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide is O=C(Cn1cnc(Cl)cc1=O)NC1CCCCC1.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The InChIKey is ACSKCMPISWFRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-10-6-12(18)16(8-14-10)7-11(17)15-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,15,17).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide has a molecular weight of 269.73 g/mol, XLogP of 1.35, 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-cyclohexylacetamide is sourced from PubChem (CID 114582212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).