3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one

C10H16N2O — CID 13123701

IUPAC3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one
SMILESCCn1c(C(C)C)nc(C)cc1=O
InChIInChI=1S/C10H16N2O/c1-5-12-9(13)6-8(4)11-10(12)7(2)3/h6-7H,5H2,1-4H3
InChIKeyWXGXNMOLSVEJKN-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.70
Rot. Bonds2

About 3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one

3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one (PubChem CID 13123701) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one
PubChem CID13123701
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one
SMILESCCn1c(C(C)C)nc(C)cc1=O
InChIInChI=1S/C10H16N2O/c1-5-12-9(13)6-8(4)11-10(12)7(2)3/h6-7H,5H2,1-4H3
InChIKeyWXGXNMOLSVEJKN-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-(diethylaminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one;hydrochloride
CID 157847969
3,6-Dimethyl-2-propan-2-ylpyrimidin-4-one
CID 13123700
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
3-(2,2-Dimethylpropyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 162608735
4(3H)-Pyrimidinone, 3-ethyl-2,6-dimethyl-
CID 592279
Pyrimidine, 2-(1-methylethyl)-4-hydroxy-6-[(dimethylamino)methyl]-
CID 135703346

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one (CID 13123701) is 3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one is CCn1c(C(C)C)nc(C)cc1=O.
What is the InChIKey of 3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one?
The InChIKey is WXGXNMOLSVEJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-12-9(13)6-8(4)11-10(12)7(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one?
3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 13123701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).