4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

C13H20N2O3 — CID 103241623

IUPAC4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N2O3/c1-9(2)13-14-11(16)7-12(15-13)18-8-10-3-5-17-6-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyLSESNXBKWNGKNS-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.70
Rot. Bonds4

About 4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one

4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241623) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241623
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N2O3/c1-9(2)13-14-11(16)7-12(15-13)18-8-10-3-5-17-6-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyLSESNXBKWNGKNS-UHFFFAOYSA-N
XLogP1.70
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(oxan-4-ylmethoxy)-2-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

6-Amino-2-(oxan-4-yl)-3,4-dihydropyrimidin-4-one
CID 136274150
2-(tetrahydro-2H-pyran-4-yl)pyrimidine-4,6-diol
CID 59198396
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
4-(2-butoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240439
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240471
2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240474
2-ethyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240475
2-ethyl-4-hexoxy-1H-pyrimidin-6-one
CID 103240496

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241623) is 4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCC2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LSESNXBKWNGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)13-14-11(16)7-12(15-13)18-8-10-3-5-17-6-4-10/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).