5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

C14H20N2O3 — CID 103986016

IUPAC5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCOC2)nc(O)c1C1CCCC1
InChIInChI=1S/C14H20N2O3/c17-13-12(10-3-1-2-4-10)14(18)16-11(15-13)7-9-5-6-19-8-9/h9-10H,1-8H2,(H2,15,16,17,18)
InChIKeyZKUWSJSHJYZOMU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.71
Rot. Bonds3

About 5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 103986016) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID103986016
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CCOC2)nc(O)c1C1CCCC1
InChIInChI=1S/C14H20N2O3/c17-13-12(10-3-1-2-4-10)14(18)16-11(15-13)7-9-5-6-19-8-9/h9-10H,1-8H2,(H2,15,16,17,18)
InChIKeyZKUWSJSHJYZOMU-UHFFFAOYSA-N
XLogP1.71
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 103146660
5-cyclopentyl-4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146661
5-cyclopentyl-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734415
5-cyclopentyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
CID 46734457
2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734501
5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927190
5-ethyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103985981
4-hydroxy-2-(oxolan-3-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 103985982
4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 103985983
5-cyclopentyl-4-hydroxy-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249193
5-cyclopentyl-4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249194
5-cyclopentyl-2-(2-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106814976

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (CID 103986016) is 5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CC2CCOC2)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is ZKUWSJSHJYZOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13-12(10-3-1-2-4-10)14(18)16-11(15-13)7-9-5-6-19-8-9/h9-10H,1-8H2,(H2,15,16,17,18).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 264.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103986016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).