4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one

C9H12ClN3O2 — CID 114586562

IUPAC4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
SMILESNC1CCC(Oc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C9H12ClN3O2/c10-7-8(14)12-4-13-9(7)15-6-2-1-5(11)3-6/h4-6H,1-3,11H2,(H,12,13,14)
InChIKeyPGFUHPBZBHWLNS-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.68
Rot. Bonds2

About 4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one

4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one (PubChem CID 114586562) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
PubChem CID114586562
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
SMILESNC1CCC(Oc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C9H12ClN3O2/c10-7-8(14)12-4-13-9(7)15-6-2-1-5(11)3-6/h4-6H,1-3,11H2,(H,12,13,14)
InChIKeyPGFUHPBZBHWLNS-UHFFFAOYSA-N
XLogP0.68
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.68
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-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one (CID 114586562) is 4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one is NC1CCC(Oc2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one?
The InChIKey is PGFUHPBZBHWLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c10-7-8(14)12-4-13-9(7)15-6-2-1-5(11)3-6/h4-6H,1-3,11H2,(H,12,13,14).
What are the key properties of 4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one?
4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one has a molecular weight of 229.67 g/mol, XLogP of 0.68, 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-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 114586562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).