5,6-dimethyl-3-propan-2-ylpyrimidin-4-one

C9H14N2O — CID 166530387

IUPAC5,6-dimethyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1ncn(C(C)C)c(=O)c1C
InChIInChI=1S/C9H14N2O/c1-6(2)11-5-10-8(4)7(3)9(11)12/h5-6H,1-4H3
InChIKeyRWJFZECRFABYLK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.44
Rot. Bonds1

About 5,6-dimethyl-3-propan-2-ylpyrimidin-4-one

5,6-dimethyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 166530387) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5,6-dimethyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-propan-2-ylpyrimidin-4-one
PubChem CID166530387
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5,6-dimethyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1ncn(C(C)C)c(=O)c1C
InChIInChI=1S/C9H14N2O/c1-6(2)11-5-10-8(4)7(3)9(11)12/h5-6H,1-4H3
InChIKeyRWJFZECRFABYLK-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-propan-2-ylpyrimidin-4-one (CID 166530387) is 5,6-dimethyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-propan-2-ylpyrimidin-4-one is Cc1ncn(C(C)C)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is RWJFZECRFABYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)11-5-10-8(4)7(3)9(11)12/h5-6H,1-4H3.
What are the key properties of 5,6-dimethyl-3-propan-2-ylpyrimidin-4-one?
5,6-dimethyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 166530387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).