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

C13H20N2O3 — CID 113391198

IUPAC4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(CC2CCCCO2)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-8(2)11-12(16)14-10(15-13(11)17)7-9-5-3-4-6-18-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyHDEASLGZNFIMGA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.71
Rot. Bonds3

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

4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 113391198) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID113391198
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(CC2CCCCO2)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-8(2)11-12(16)14-10(15-13(11)17)7-9-5-3-4-6-18-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyHDEASLGZNFIMGA-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(oxan-4-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55216635
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 63611434
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-5-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63613102
5-ethyl-4-hydroxy-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 63613131
5-ethyl-4-hydroxy-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63613615
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
4-hydroxy-2-(oxan-3-yl)-5-propyl-1H-pyrimidin-6-one
CID 63738225
5-ethyl-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrimidin-6-one
CID 64186216
4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 64186412

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 113391198) is 4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(CC2CCCCO2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HDEASLGZNFIMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)11-12(16)14-10(15-13(11)17)7-9-5-3-4-6-18-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 113391198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).