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

C13H20N2O3 — CID 112569373

IUPAC5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCOC(C)(C)c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H20N2O3/c1-13(2,18-3)12-14-10(16)9(11(17)15-12)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyXQGBOPGZYJUENE-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.01
Rot. Bonds3

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

5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 112569373) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
PubChem CID112569373
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCOC(C)(C)c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H20N2O3/c1-13(2,18-3)12-14-10(16)9(11(17)15-12)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyXQGBOPGZYJUENE-UHFFFAOYSA-N
XLogP2.01
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473516
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-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79201546
5-cyclopentyl-4-hydroxy-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249193
4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
CID 104609914
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-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-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one (CID 112569373) is 5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one is COC(C)(C)c1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is XQGBOPGZYJUENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,18-3)12-14-10(16)9(11(17)15-12)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 2.01, 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-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112569373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).