4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

C12H18N2O3 — CID 103985983

IUPAC4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(CC2CCOC2)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-7(2)10-11(15)13-9(14-12(10)16)5-8-3-4-17-6-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyJZDBNRULMHRCBX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.18
Rot. Bonds3

About 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103985983) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103985983
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(CC2CCOC2)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-7(2)10-11(15)13-9(14-12(10)16)5-8-3-4-17-6-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyJZDBNRULMHRCBX-UHFFFAOYSA-N
XLogP1.18
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612119
4-hydroxy-2-(oxolan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612306
5-ethyl-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 63612636
5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 63613131
4-hydroxy-5-methyl-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 63613294
5-ethyl-4-hydroxy-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63613615
4-hydroxy-5-methyl-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 63613811
4-hydroxy-2-(oxolan-3-yl)-5-propyl-1H-pyrimidin-6-one
CID 63613818
4-hydroxy-2-(oxan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63738068
5-ethyl-4-hydroxy-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 63738223

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 103985983) is 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(CC2CCOC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JZDBNRULMHRCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)10-11(15)13-9(14-12(10)16)5-8-3-4-17-6-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103985983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).