2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one

C9H13N3O2 — CID 63555183

IUPAC2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNC1(c2nc(O)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C9H13N3O2/c10-9(3-1-2-4-9)8-11-6(13)5-7(14)12-8/h5H,1-4,10H2,(H2,11,12,13,14)
InChIKeyCBMOCRCEBLSNCI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.20
Rot. Bonds1

About 2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one

2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63555183) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63555183
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNC1(c2nc(O)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C9H13N3O2/c10-9(3-1-2-4-9)8-11-6(13)5-7(14)12-8/h5H,1-4,10H2,(H2,11,12,13,14)
InChIKeyCBMOCRCEBLSNCI-UHFFFAOYSA-N
XLogP0.20
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one (CID 63555183) is 2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one is NC1(c2nc(O)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is CBMOCRCEBLSNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-9(3-1-2-4-9)8-11-6(13)5-7(14)12-8/h5H,1-4,10H2,(H2,11,12,13,14).
What are the key properties of 2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63555183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).