3-methyl-5-propylpyrimidin-4-one

C8H12N2O — CID 166057367

IUPAC3-methyl-5-propylpyrimidin-4-one
SMILESCCCc1cncn(C)c1=O
InChIInChI=1S/C8H12N2O/c1-3-4-7-5-9-6-10(2)8(7)11/h5-6H,3-4H2,1-2H3
InChIKeyURCXJMGNOOPVPV-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.73
Rot. Bonds2

About 3-methyl-5-propylpyrimidin-4-one

3-methyl-5-propylpyrimidin-4-one (PubChem CID 166057367) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-5-propylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-propylpyrimidin-4-one
PubChem CID166057367
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methyl-5-propylpyrimidin-4-one
SMILESCCCc1cncn(C)c1=O
InChIInChI=1S/C8H12N2O/c1-3-4-7-5-9-6-10(2)8(7)11/h5-6H,3-4H2,1-2H3
InChIKeyURCXJMGNOOPVPV-UHFFFAOYSA-N
XLogP0.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propylpyrimidin-4-one?
The IUPAC name of 3-methyl-5-propylpyrimidin-4-one (CID 166057367) is 3-methyl-5-propylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-propylpyrimidin-4-one?
The canonical SMILES for 3-methyl-5-propylpyrimidin-4-one is CCCc1cncn(C)c1=O.
What is the InChIKey of 3-methyl-5-propylpyrimidin-4-one?
The InChIKey is URCXJMGNOOPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-7-5-9-6-10(2)8(7)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methyl-5-propylpyrimidin-4-one?
3-methyl-5-propylpyrimidin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propylpyrimidin-4-one is sourced from PubChem (CID 166057367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).