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

C14H20N2O3 — CID 112569400

IUPAC5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nc(O)c(C3CCCC3)c(=O)[nH]2)O1
InChIInChI=1S/C14H20N2O3/c1-8-6-7-10(19-8)12-15-13(17)11(14(18)16-12)9-4-2-3-5-9/h8-10H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyHSMGRJOCCUVQGM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.37
Rot. Bonds2

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

5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 112569400) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID112569400
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nc(O)c(C3CCCC3)c(=O)[nH]2)O1
InChIInChI=1S/C14H20N2O3/c1-8-6-7-10(19-8)12-15-13(17)11(14(18)16-12)9-4-2-3-5-9/h8-10H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyHSMGRJOCCUVQGM-UHFFFAOYSA-N
XLogP2.37
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331630
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-(2-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80166289
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (CID 112569400) is 5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is CC1CCC(c2nc(O)c(C3CCCC3)c(=O)[nH]2)O1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is HSMGRJOCCUVQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-6-7-10(19-8)12-15-13(17)11(14(18)16-12)9-4-2-3-5-9/h8-10H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 264.32 g/mol, XLogP of 2.37, 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-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112569400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).