5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one

C10H14ClN3O — CID 114582598

IUPAC5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CCCC2)c1=O
InChIInChI=1S/C10H14ClN3O/c11-9-8(12)10(15)14(6-13-9)5-7-3-1-2-4-7/h6-7H,1-5,12H2
InChIKeyZETRQHWLLDHXFG-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.67
Rot. Bonds2

About 5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one

5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one (PubChem CID 114582598) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one
PubChem CID114582598
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CCCC2)c1=O
InChIInChI=1S/C10H14ClN3O/c11-9-8(12)10(15)14(6-13-9)5-7-3-1-2-4-7/h6-7H,1-5,12H2
InChIKeyZETRQHWLLDHXFG-UHFFFAOYSA-N
XLogP1.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one
CID 114224997
6-Chloro-3-(cyclopentylmethyl)pyrimidin-4-one
CID 114582161
5-Amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582460
5-Amino-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
CID 114582470
5-Amino-6-chloro-3-pentylpyrimidin-4-one
CID 114582471
5-Amino-6-chloro-3-cyclohexylpyrimidin-4-one
CID 114582476
5-Amino-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
CID 114582514
5-Amino-6-chloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114582543
5-Amino-6-chloro-3-cyclopentylpyrimidin-4-one
CID 114582559
5-Amino-6-chloro-3-(3,5-dimethylcyclohexyl)pyrimidin-4-one
CID 114582565
5-Amino-6-chloro-3-(4-methylpentyl)pyrimidin-4-one
CID 114582575
5-Amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
CID 114582596

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one (CID 114582598) is 5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC2CCCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one?
The InChIKey is ZETRQHWLLDHXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-8(12)10(15)14(6-13-9)5-7-3-1-2-4-7/h6-7H,1-5,12H2.
What are the key properties of 5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one has a molecular weight of 227.69 g/mol, XLogP of 1.67, 2 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-(cyclopentylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114582598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).