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

C13H18N2O3 — CID 112569321

IUPAC5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCO2)nc(O)c1C1CCCC1
InChIInChI=1S/C13H18N2O3/c16-12-10(8-4-1-2-5-8)13(17)15-11(14-12)9-6-3-7-18-9/h8-9H,1-7H2,(H2,14,15,16,17)
InChIKeyXFLLRYYKCAONCQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.98
Rot. Bonds2

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

5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 112569321) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID112569321
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCO2)nc(O)c1C1CCCC1
InChIInChI=1S/C13H18N2O3/c16-12-10(8-4-1-2-5-8)13(17)15-11(14-12)9-6-3-7-18-9/h8-9H,1-7H2,(H2,14,15,16,17)
InChIKeyXFLLRYYKCAONCQ-UHFFFAOYSA-N
XLogP1.98
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(oxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 65331631
4-hydroxy-2-(oxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 65331632
4-hydroxy-2-(2-methyloxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80166288
4-hydroxy-2-(5-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 82836726
5-ethyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82838423
4-hydroxy-2-(5-methyloxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 82838424
5-cyclopentyl-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103986016
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-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609940
5-cyclopentyl-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 112569322
5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 112569323

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one (CID 112569321) is 5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCO2)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is XFLLRYYKCAONCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12-10(8-4-1-2-5-8)13(17)15-11(14-12)9-6-3-7-18-9/h8-9H,1-7H2,(H2,14,15,16,17).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 1.98, 2 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-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112569321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).