5-amino-6-chloro-3-cyclopentylpyrimidin-4-one

C9H12ClN3O — CID 114582559

IUPAC5-amino-6-chloro-3-cyclopentylpyrimidin-4-one
SMILESNc1c(Cl)ncn(C2CCCC2)c1=O
InChIInChI=1S/C9H12ClN3O/c10-8-7(11)9(14)13(5-12-8)6-3-1-2-4-6/h5-6H,1-4,11H2
InChIKeyPOFQWHQOQKRHIQ-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.59
Rot. Bonds1

About 5-amino-6-chloro-3-cyclopentylpyrimidin-4-one

5-amino-6-chloro-3-cyclopentylpyrimidin-4-one (PubChem CID 114582559) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-amino-6-chloro-3-cyclopentylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-cyclopentylpyrimidin-4-one
PubChem CID114582559
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-amino-6-chloro-3-cyclopentylpyrimidin-4-one
SMILESNc1c(Cl)ncn(C2CCCC2)c1=O
InChIInChI=1S/C9H12ClN3O/c10-8-7(11)9(14)13(5-12-8)6-3-1-2-4-6/h5-6H,1-4,11H2
InChIKeyPOFQWHQOQKRHIQ-UHFFFAOYSA-N
XLogP1.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582585
5-Amino-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582822
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604279
5-Amino-6-chloro-3-decylpyrimidin-4-one
CID 113604298
N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604357
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 113604471
6-Chloro-3-cyclopentylpyrimidin-4-one
CID 114582119
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114582416
5-Amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582460
5-Amino-6-chloro-3-pentylpyrimidin-4-one
CID 114582471
5-Amino-6-chloro-3-octylpyrimidin-4-one
CID 114582472

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-cyclopentylpyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-cyclopentylpyrimidin-4-one (CID 114582559) is 5-amino-6-chloro-3-cyclopentylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-cyclopentylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-cyclopentylpyrimidin-4-one is Nc1c(Cl)ncn(C2CCCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-cyclopentylpyrimidin-4-one?
The InChIKey is POFQWHQOQKRHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-8-7(11)9(14)13(5-12-8)6-3-1-2-4-6/h5-6H,1-4,11H2.
What are the key properties of 5-amino-6-chloro-3-cyclopentylpyrimidin-4-one?
5-amino-6-chloro-3-cyclopentylpyrimidin-4-one has a molecular weight of 213.67 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-cyclopentylpyrimidin-4-one is sourced from PubChem (CID 114582559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).