4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one

C9H13N3O2 — CID 114586563

IUPAC4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one
SMILESNC1CCC(Oc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H13N3O2/c10-6-1-2-7(3-6)14-9-4-8(13)11-5-12-9/h4-7H,1-3,10H2,(H,11,12,13)
InChIKeyIMICNNCBMQRHFL-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.03
Rot. Bonds2

About 4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one

4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one (PubChem CID 114586563) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one
PubChem CID114586563
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one
SMILESNC1CCC(Oc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H13N3O2/c10-6-1-2-7(3-6)14-9-4-8(13)11-5-12-9/h4-7H,1-3,10H2,(H,11,12,13)
InChIKeyIMICNNCBMQRHFL-UHFFFAOYSA-N
XLogP0.03
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one (CID 114586563) is 4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one is NC1CCC(Oc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
The InChIKey is IMICNNCBMQRHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-6-1-2-7(3-6)14-9-4-8(13)11-5-12-9/h4-7H,1-3,10H2,(H,11,12,13).
What are the key properties of 4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).