3,5,6-trimethylpyrimidin-4-one

C7H10N2O — CID 13149274

IUPAC3,5,6-trimethylpyrimidin-4-one
SMILESCc1ncn(C)c(=O)c1C
InChIInChI=1S/C7H10N2O/c1-5-6(2)8-4-9(3)7(5)10/h4H,1-3H3
InChIKeyGEPLIWQXMUWKEP-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.40
Rot. Bonds

About 3,5,6-trimethylpyrimidin-4-one

3,5,6-trimethylpyrimidin-4-one (PubChem CID 13149274) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,5,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name3,5,6-trimethylpyrimidin-4-one
PubChem CID13149274
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3,5,6-trimethylpyrimidin-4-one
SMILESCc1ncn(C)c(=O)c1C
InChIInChI=1S/C7H10N2O/c1-5-6(2)8-4-9(3)7(5)10/h4H,1-3H3
InChIKeyGEPLIWQXMUWKEP-UHFFFAOYSA-N
XLogP0.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethylpyrimidin-4-one?
The IUPAC name of 3,5,6-trimethylpyrimidin-4-one (CID 13149274) is 3,5,6-trimethylpyrimidin-4-one.
What is the SMILES notation for 3,5,6-trimethylpyrimidin-4-one?
The canonical SMILES for 3,5,6-trimethylpyrimidin-4-one is Cc1ncn(C)c(=O)c1C.
What is the InChIKey of 3,5,6-trimethylpyrimidin-4-one?
The InChIKey is GEPLIWQXMUWKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-6(2)8-4-9(3)7(5)10/h4H,1-3H3.
What are the key properties of 3,5,6-trimethylpyrimidin-4-one?
3,5,6-trimethylpyrimidin-4-one has a molecular weight of 138.17 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 13149274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).