5-amino-1-cyclopentylpyrimidin-4-one

C9H13N3O — CID 115114540

IUPAC5-amino-1-cyclopentylpyrimidin-4-one
SMILESNc1cn(C2CCCC2)cnc1=O
InChIInChI=1S/C9H13N3O/c10-8-5-12(6-11-9(8)13)7-3-1-2-4-7/h5-7H,1-4,10H2
InChIKeyOUGWIOWMYBZNEP-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.94
Rot. Bonds1

About 5-amino-1-cyclopentylpyrimidin-4-one

5-amino-1-cyclopentylpyrimidin-4-one (PubChem CID 115114540) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-amino-1-cyclopentylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-cyclopentylpyrimidin-4-one
PubChem CID115114540
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-amino-1-cyclopentylpyrimidin-4-one
SMILESNc1cn(C2CCCC2)cnc1=O
InChIInChI=1S/C9H13N3O/c10-8-5-12(6-11-9(8)13)7-3-1-2-4-7/h5-7H,1-4,10H2
InChIKeyOUGWIOWMYBZNEP-UHFFFAOYSA-N
XLogP0.94
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentylpyrimidin-4-one?
The IUPAC name of 5-amino-1-cyclopentylpyrimidin-4-one (CID 115114540) is 5-amino-1-cyclopentylpyrimidin-4-one.
What is the SMILES notation for 5-amino-1-cyclopentylpyrimidin-4-one?
The canonical SMILES for 5-amino-1-cyclopentylpyrimidin-4-one is Nc1cn(C2CCCC2)cnc1=O.
What is the InChIKey of 5-amino-1-cyclopentylpyrimidin-4-one?
The InChIKey is OUGWIOWMYBZNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-8-5-12(6-11-9(8)13)7-3-1-2-4-7/h5-7H,1-4,10H2.
What are the key properties of 5-amino-1-cyclopentylpyrimidin-4-one?
5-amino-1-cyclopentylpyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentylpyrimidin-4-one is sourced from PubChem (CID 115114540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).