4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one

C10H14ClN3O2 — CID 114586503

IUPAC4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one
SMILESNCC1CCCC1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-2-6(7)4-12/h5-7H,1-4,12H2,(H,13,14,15)
InChIKeyUIOAIMOMCXXENI-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.93
Rot. Bonds3

About 4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one

4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one (PubChem CID 114586503) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one
PubChem CID114586503
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one
SMILESNCC1CCCC1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-2-6(7)4-12/h5-7H,1-4,12H2,(H,13,14,15)
InChIKeyUIOAIMOMCXXENI-UHFFFAOYSA-N
XLogP0.93
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.93
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-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one (CID 114586503) is 4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one is NCC1CCCC1Oc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one?
The InChIKey is UIOAIMOMCXXENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-9(15)13-5-14-10(8)16-7-3-1-2-6(7)4-12/h5-7H,1-4,12H2,(H,13,14,15).
What are the key properties of 4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one?
4-[2-(aminomethyl)cyclopentyl]oxy-5-chloro-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 0.93, 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-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 114586503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).