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

C6H10N2O — CID 142859674

IUPAC3,4-dimethyl-1,4-dihydropyrimidin-2-one
SMILESCC1C=CNC(=O)N1C
InChIInChI=1S/C6H10N2O/c1-5-3-4-7-6(9)8(5)2/h3-5H,1-2H3,(H,7,9)
InChIKeyWEAVTFDTCNITBJ-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.54
Rot. Bonds

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

3,4-dimethyl-1,4-dihydropyrimidin-2-one (PubChem CID 142859674) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3,4-dimethyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-1,4-dihydropyrimidin-2-one
PubChem CID142859674
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3,4-dimethyl-1,4-dihydropyrimidin-2-one
SMILESCC1C=CNC(=O)N1C
InChIInChI=1S/C6H10N2O/c1-5-3-4-7-6(9)8(5)2/h3-5H,1-2H3,(H,7,9)
InChIKeyWEAVTFDTCNITBJ-UHFFFAOYSA-N
XLogP0.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 3,4-dimethyl-1,4-dihydropyrimidin-2-one (CID 142859674) is 3,4-dimethyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 3,4-dimethyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 3,4-dimethyl-1,4-dihydropyrimidin-2-one is CC1C=CNC(=O)N1C.
What is the InChIKey of 3,4-dimethyl-1,4-dihydropyrimidin-2-one?
The InChIKey is WEAVTFDTCNITBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-3-4-7-6(9)8(5)2/h3-5H,1-2H3,(H,7,9).
What are the key properties of 3,4-dimethyl-1,4-dihydropyrimidin-2-one?
3,4-dimethyl-1,4-dihydropyrimidin-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 142859674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).