4-methyl-3,4-dihydro-1H-pyrimidin-2-one

C5H8N2O — CID 14689526

IUPAC4-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1C=CNC(=O)N1
InChIInChI=1S/C5H8N2O/c1-4-2-3-6-5(8)7-4/h2-4H,1H3,(H2,6,7,8)
InChIKeyOTKGWSNZPZFOIU-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.20
Rot. Bonds

About 4-methyl-3,4-dihydro-1H-pyrimidin-2-one

4-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 14689526) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID14689526
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name4-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1C=CNC(=O)N1
InChIInChI=1S/C5H8N2O/c1-4-2-3-6-5(8)7-4/h2-4H,1H3,(H2,6,7,8)
InChIKeyOTKGWSNZPZFOIU-UHFFFAOYSA-N
XLogP0.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 14689526) is 4-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC1C=CNC(=O)N1.
What is the InChIKey of 4-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is OTKGWSNZPZFOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-2-3-6-5(8)7-4/h2-4H,1H3,(H2,6,7,8).
What are the key properties of 4-methyl-3,4-dihydro-1H-pyrimidin-2-one?
4-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 14689526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).