4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one

C10H15N3O2 — CID 114586504

IUPAC4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one
SMILESNCC1CCCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c11-5-7-2-1-3-8(7)15-10-4-9(14)12-6-13-10/h4,6-8H,1-3,5,11H2,(H,12,13,14)
InChIKeyLLCLIDNMJREWHT-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.28
Rot. Bonds3

About 4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one

4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one (PubChem CID 114586504) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one
PubChem CID114586504
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one
SMILESNCC1CCCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c11-5-7-2-1-3-8(7)15-10-4-9(14)12-6-13-10/h4,6-8H,1-3,5,11H2,(H,12,13,14)
InChIKeyLLCLIDNMJREWHT-UHFFFAOYSA-N
XLogP0.28
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one (CID 114586504) is 4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one is NCC1CCCC1Oc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one?
The InChIKey is LLCLIDNMJREWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-5-7-2-1-3-8(7)15-10-4-9(14)12-6-13-10/h4,6-8H,1-3,5,11H2,(H,12,13,14).
What are the key properties of 4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one?
4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).