3-methyl-1,4-dihydropyrimidin-2-one

C5H8N2O — CID 55287187

IUPAC3-methyl-1,4-dihydropyrimidin-2-one
SMILESCN1CC=CNC1=O
InChIInChI=1S/C5H8N2O/c1-7-4-2-3-6-5(7)8/h2-3H,4H2,1H3,(H,6,8)
InChIKeyUKSJCZGCQMYOMU-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.16
Rot. Bonds

About 3-methyl-1,4-dihydropyrimidin-2-one

3-methyl-1,4-dihydropyrimidin-2-one (PubChem CID 55287187) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-methyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-methyl-1,4-dihydropyrimidin-2-one
PubChem CID55287187
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-methyl-1,4-dihydropyrimidin-2-one
SMILESCN1CC=CNC1=O
InChIInChI=1S/C5H8N2O/c1-7-4-2-3-6-5(7)8/h2-3H,4H2,1H3,(H,6,8)
InChIKeyUKSJCZGCQMYOMU-UHFFFAOYSA-N
XLogP0.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 3-methyl-1,4-dihydropyrimidin-2-one (CID 55287187) is 3-methyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 3-methyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 3-methyl-1,4-dihydropyrimidin-2-one is CN1CC=CNC1=O.
What is the InChIKey of 3-methyl-1,4-dihydropyrimidin-2-one?
The InChIKey is UKSJCZGCQMYOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-4-2-3-6-5(7)8/h2-3H,4H2,1H3,(H,6,8).
What are the key properties of 3-methyl-1,4-dihydropyrimidin-2-one?
3-methyl-1,4-dihydropyrimidin-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 55287187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).