3,6-dimethyl-2-propoxypyrimidin-4-one

C9H14N2O2 — CID 10866971

IUPAC3,6-dimethyl-2-propoxypyrimidin-4-one
SMILESCCCOc1nc(C)cc(=O)n1C
InChIInChI=1S/C9H14N2O2/c1-4-5-13-9-10-7(2)6-8(12)11(9)3/h6H,4-5H2,1-3H3
InChIKeyJLKRQXJHCNBIII-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.88
Rot. Bonds3

About 3,6-dimethyl-2-propoxypyrimidin-4-one

3,6-dimethyl-2-propoxypyrimidin-4-one (PubChem CID 10866971) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3,6-dimethyl-2-propoxypyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-propoxypyrimidin-4-one
PubChem CID10866971
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3,6-dimethyl-2-propoxypyrimidin-4-one
SMILESCCCOc1nc(C)cc(=O)n1C
InChIInChI=1S/C9H14N2O2/c1-4-5-13-9-10-7(2)6-8(12)11(9)3/h6H,4-5H2,1-3H3
InChIKeyJLKRQXJHCNBIII-UHFFFAOYSA-N
XLogP0.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4(3h)-one
CID 138756307
1,6-Dimethylpyrimidin-4-one
CID 303833
Trifluoro-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]boranuide
CID 79374198
3-(Difluoromethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79375363
3-(2,2-Difluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79375857
2-Methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 79376478
3-(2-Fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 80695143
3-(3-Fluoropropyl)-2-methoxy-6-methylpyrimidin-4-one
CID 81114529
2-Methoxy-6-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106706300
6-(Difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one
CID 130711092
1,3,4-Trimethyl-6-oxo-3,6-dihydropyrimidin-1-ium iodide
CID 24190180
3,6-Dimethylpyrimidin-4(3H)-one
CID 13149273

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-propoxypyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-propoxypyrimidin-4-one (CID 10866971) is 3,6-dimethyl-2-propoxypyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-propoxypyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-propoxypyrimidin-4-one is CCCOc1nc(C)cc(=O)n1C.
What is the InChIKey of 3,6-dimethyl-2-propoxypyrimidin-4-one?
The InChIKey is JLKRQXJHCNBIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-13-9-10-7(2)6-8(12)11(9)3/h6H,4-5H2,1-3H3.
What are the key properties of 3,6-dimethyl-2-propoxypyrimidin-4-one?
3,6-dimethyl-2-propoxypyrimidin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-propoxypyrimidin-4-one is sourced from PubChem (CID 10866971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).