4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one

C11H17N3O2 — CID 114586564

IUPAC4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-9-13-10(15)6-11(14-9)16-8-4-3-7(12)5-8/h6-8H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyPYPHWOXZRGAWCQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.59
Rot. Bonds3

About 4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one

4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one (PubChem CID 114586564) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one
PubChem CID114586564
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-9-13-10(15)6-11(14-9)16-8-4-3-7(12)5-8/h6-8H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyPYPHWOXZRGAWCQ-UHFFFAOYSA-N
XLogP0.59
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.59
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-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one (CID 114586564) is 4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OC2CCC(N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is PYPHWOXZRGAWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-9-13-10(15)6-11(14-9)16-8-4-3-7(12)5-8/h6-8H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one?
4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclopentyl)oxy-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).