5,6-dimethyl-3-propylpyrimidin-4-one

C9H14N2O — CID 131175563

IUPAC5,6-dimethyl-3-propylpyrimidin-4-one
SMILESCCCn1cnc(C)c(C)c1=O
InChIInChI=1S/C9H14N2O/c1-4-5-11-6-10-8(3)7(2)9(11)12/h6H,4-5H2,1-3H3
InChIKeyVVMGNJYIXVLSLY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.27
Rot. Bonds2

About 5,6-dimethyl-3-propylpyrimidin-4-one

5,6-dimethyl-3-propylpyrimidin-4-one (PubChem CID 131175563) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5,6-dimethyl-3-propylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-propylpyrimidin-4-one
PubChem CID131175563
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5,6-dimethyl-3-propylpyrimidin-4-one
SMILESCCCn1cnc(C)c(C)c1=O
InChIInChI=1S/C9H14N2O/c1-4-5-11-6-10-8(3)7(2)9(11)12/h6H,4-5H2,1-3H3
InChIKeyVVMGNJYIXVLSLY-UHFFFAOYSA-N
XLogP1.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.27
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-propylpyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-propylpyrimidin-4-one (CID 131175563) is 5,6-dimethyl-3-propylpyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-propylpyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-propylpyrimidin-4-one is CCCn1cnc(C)c(C)c1=O.
What is the InChIKey of 5,6-dimethyl-3-propylpyrimidin-4-one?
The InChIKey is VVMGNJYIXVLSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-11-6-10-8(3)7(2)9(11)12/h6H,4-5H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-propylpyrimidin-4-one?
5,6-dimethyl-3-propylpyrimidin-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-propylpyrimidin-4-one is sourced from PubChem (CID 131175563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).