3,6-dimethyl-2-propan-2-ylpyrimidin-4-one

C9H14N2O — CID 13123700

IUPAC3,6-dimethyl-2-propan-2-ylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(C(C)C)n1
InChIInChI=1S/C9H14N2O/c1-6(2)9-10-7(3)5-8(12)11(9)4/h5-6H,1-4H3
InChIKeyGNRSLMZDTCWKRL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.21
Rot. Bonds1

About 3,6-dimethyl-2-propan-2-ylpyrimidin-4-one

3,6-dimethyl-2-propan-2-ylpyrimidin-4-one (PubChem CID 13123700) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3,6-dimethyl-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-propan-2-ylpyrimidin-4-one
PubChem CID13123700
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3,6-dimethyl-2-propan-2-ylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(C(C)C)n1
InChIInChI=1S/C9H14N2O/c1-6(2)9-10-7(3)5-8(12)11(9)4/h5-6H,1-4H3
InChIKeyGNRSLMZDTCWKRL-UHFFFAOYSA-N
XLogP1.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-6-methyl-4-pyrimidinol
CID 135444498
4(3H)-Pyrimidinone, 2,3,6-trimethyl-
CID 544953
2-Methyl-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidin-4-one
CID 1571397
3,6-Dimethyl-2-propylpyrimidin-4-one
CID 89662153
4(3H)-Pyrimidinone, 2-ethyl-3,6-dimethyl-
CID 551082
3-Ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one
CID 13123701
3-Ethyl-6-methyl-2-propylpyrimidin-4-one
CID 134868748
2-[(2,4-Dimethyl-6-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 113807725
2-Cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)-3,4-dihydropyrimidin-4-one
CID 126857772
6-Methyl-2-(propan-2-yl)(1-~2~H)pyrimidin-4(1H)-one
CID 138396018
3-(2,2-Dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 162608735
4(3H)-Pyrimidinone, 3-ethyl-2,6-dimethyl-
CID 592279

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-propan-2-ylpyrimidin-4-one (CID 13123700) is 3,6-dimethyl-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-propan-2-ylpyrimidin-4-one is Cc1cc(=O)n(C)c(C(C)C)n1.
What is the InChIKey of 3,6-dimethyl-2-propan-2-ylpyrimidin-4-one?
The InChIKey is GNRSLMZDTCWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)9-10-7(3)5-8(12)11(9)4/h5-6H,1-4H3.
What are the key properties of 3,6-dimethyl-2-propan-2-ylpyrimidin-4-one?
3,6-dimethyl-2-propan-2-ylpyrimidin-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 13123700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).