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

C11H14ClN3O2 — CID 114582416

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NC1CCCC1
InChIInChI=1S/C11H14ClN3O2/c12-9-5-11(17)15(7-13-9)6-10(16)14-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,14,16)
InChIKeyZXYQUMRHZCCPIN-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.96
Rot. Bonds3

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide (PubChem CID 114582416) 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-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
PubChem CID114582416
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NC1CCCC1
InChIInChI=1S/C11H14ClN3O2/c12-9-5-11(17)15(7-13-9)6-10(16)14-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,14,16)
InChIKeyZXYQUMRHZCCPIN-UHFFFAOYSA-N
XLogP0.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45496937
3-[2-(Cyclopentylamino)ethyl]pyrimidin-4-one
CID 63794207
N-cyclopentyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309281
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
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604279
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604300

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide (CID 114582416) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide is O=C(Cn1cnc(Cl)cc1=O)NC1CCCC1.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
The InChIKey is ZXYQUMRHZCCPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-5-11(17)15(7-13-9)6-10(16)14-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,14,16).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide has a molecular weight of 255.70 g/mol, XLogP of 0.96, 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-cyclopentylacetamide is sourced from PubChem (CID 114582416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).