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

C14H20N2O3 — CID 112569363

IUPAC5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCOCC2)nc(O)c1C1CCCC1
InChIInChI=1S/C14H20N2O3/c17-13-11(9-3-1-2-4-9)14(18)16-12(15-13)10-5-7-19-8-6-10/h9-10H,1-8H2,(H2,15,16,17,18)
InChIKeyKLZIRRCJPGHFFX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.03
Rot. Bonds2

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

5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 112569363) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
PubChem CID112569363
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCOCC2)nc(O)c1C1CCCC1
InChIInChI=1S/C14H20N2O3/c17-13-11(9-3-1-2-4-9)14(18)16-12(15-13)10-5-7-19-8-6-10/h9-10H,1-8H2,(H2,15,16,17,18)
InChIKeyKLZIRRCJPGHFFX-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 25421330
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
4-hydroxy-2-(oxan-4-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55216635
4-hydroxy-2-(oxan-4-yl)-5-propyl-1H-pyrimidin-6-one
CID 63611789
5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 63613131
4-hydroxy-2-(oxan-3-yl)-5-propyl-1H-pyrimidin-6-one
CID 63738225
5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927190
4-hydroxy-2-(oxolan-3-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 103985982

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one (CID 112569363) is 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CCOCC2)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is KLZIRRCJPGHFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13-11(9-3-1-2-4-9)14(18)16-12(15-13)10-5-7-19-8-6-10/h9-10H,1-8H2,(H2,15,16,17,18).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 264.32 g/mol, XLogP of 2.03, 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-(oxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112569363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).