5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one

C10H12ClN3O — CID 130927833

IUPAC5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2=CCCC2)c1=O
InChIInChI=1S/C10H12ClN3O/c11-9-8(12)10(15)14(6-13-9)5-7-3-1-2-4-7/h3,6H,1-2,4-5,12H2
InChIKeyXVYRILGWDDOAIU-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.59
Rot. Bonds2

About 5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one

5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one (PubChem CID 130927833) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one
PubChem CID130927833
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2=CCCC2)c1=O
InChIInChI=1S/C10H12ClN3O/c11-9-8(12)10(15)14(6-13-9)5-7-3-1-2-4-7/h3,6H,1-2,4-5,12H2
InChIKeyXVYRILGWDDOAIU-UHFFFAOYSA-N
XLogP1.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-[(4-bromophenyl)methyl]-6-chloropyrimidin-4-one
CID 114582782
5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
CID 114582793
5-amino-6-chloro-3-(furan-3-ylmethyl)pyrimidin-4-one
CID 114582826
5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114582854
5-amino-6-chloro-3-[(5-ethylthiophen-2-yl)methyl]pyrimidin-4-one
CID 114582544
5-amino-6-chloro-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrimidin-4-one
CID 114582536
5-amino-6-chloro-3-[(4-chloro-3-fluorophenyl)methyl]pyrimidin-4-one
CID 114012811
5-amino-6-chloro-3-[(2-chloro-4-fluorophenyl)methyl]pyrimidin-4-one
CID 114582636
3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171916483
5-amino-6-chloro-3-dodecylpyrimidin-4-one
CID 114582630
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114582836
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 114582727

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one (CID 130927833) is 5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC2=CCCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one?
The InChIKey is XVYRILGWDDOAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-9-8(12)10(15)14(6-13-9)5-7-3-1-2-4-7/h3,6H,1-2,4-5,12H2.
What are the key properties of 5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(cyclopenten-1-ylmethyl)pyrimidin-4-one has a molecular weight of 225.68 g/mol, XLogP of 1.59, 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-(cyclopenten-1-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 130927833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).