1-methyl-4,5-dihydropyrimidin-6-one

C5H8N2O — CID 54061083

IUPAC1-methyl-4,5-dihydropyrimidin-6-one
SMILESCN1C=NCCC1=O
InChIInChI=1S/C5H8N2O/c1-7-4-6-3-2-5(7)8/h4H,2-3H2,1H3
InChIKeyDZBDDNQGHGORKV-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.12
Rot. Bonds

About 1-methyl-4,5-dihydropyrimidin-6-one

1-methyl-4,5-dihydropyrimidin-6-one (PubChem CID 54061083) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-methyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1-methyl-4,5-dihydropyrimidin-6-one
PubChem CID54061083
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-methyl-4,5-dihydropyrimidin-6-one
SMILESCN1C=NCCC1=O
InChIInChI=1S/C5H8N2O/c1-7-4-6-3-2-5(7)8/h4H,2-3H2,1H3
InChIKeyDZBDDNQGHGORKV-UHFFFAOYSA-N
XLogP-0.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1-methyl-4,5-dihydropyrimidin-6-one (CID 54061083) is 1-methyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1-methyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1-methyl-4,5-dihydropyrimidin-6-one is CN1C=NCCC1=O.
What is the InChIKey of 1-methyl-4,5-dihydropyrimidin-6-one?
The InChIKey is DZBDDNQGHGORKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-4-6-3-2-5(7)8/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-4,5-dihydropyrimidin-6-one?
1-methyl-4,5-dihydropyrimidin-6-one has a molecular weight of 112.13 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 54061083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).