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

C15H22N2O3 — CID 115926312

IUPAC5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nc(O)c(C3CCCC3)c(=O)[nH]2)CCCCO1
InChIInChI=1S/C15H22N2O3/c1-15(8-4-5-9-20-15)14-16-12(18)11(13(19)17-14)10-6-2-3-7-10/h10H,2-9H2,1H3,(H2,16,17,18,19)
InChIKeyVJPQAVPKPLRRIB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.55
Rot. Bonds2

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

5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (PubChem CID 115926312) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
PubChem CID115926312
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nc(O)c(C3CCCC3)c(=O)[nH]2)CCCCO1
InChIInChI=1S/C15H22N2O3/c1-15(8-4-5-9-20-15)14-16-12(18)11(13(19)17-14)10-6-2-3-7-10/h10H,2-9H2,1H3,(H2,16,17,18,19)
InChIKeyVJPQAVPKPLRRIB-UHFFFAOYSA-N
XLogP2.55
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691519
5-ethyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691642
4-hydroxy-2-(2-methyloxan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80691643
4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80691793
5-cyclopentyl-4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249194
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609915
4-hydroxy-2-(1-methoxycyclopentyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 104609916
5-cyclopentyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609940
5-cyclopentyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 112569321
5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 112569323
5-cyclopentyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 112569363
5-cyclopentyl-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 112569364

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (CID 115926312) is 5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is CC1(c2nc(O)c(C3CCCC3)c(=O)[nH]2)CCCCO1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is VJPQAVPKPLRRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(8-4-5-9-20-15)14-16-12(18)11(13(19)17-14)10-6-2-3-7-10/h10H,2-9H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 278.35 g/mol, XLogP of 2.55, 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-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 115926312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).