1,2-dimethyl-4,5-dihydropyrimidin-6-one

C6H10N2O — CID 20707762

IUPAC1,2-dimethyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NCCC(=O)N1C
InChIInChI=1S/C6H10N2O/c1-5-7-4-3-6(9)8(5)2/h3-4H2,1-2H3
InChIKeyOPJIPLUIYDWXLW-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.27
Rot. Bonds

About 1,2-dimethyl-4,5-dihydropyrimidin-6-one

1,2-dimethyl-4,5-dihydropyrimidin-6-one (PubChem CID 20707762) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1,2-dimethyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1,2-dimethyl-4,5-dihydropyrimidin-6-one
PubChem CID20707762
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1,2-dimethyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NCCC(=O)N1C
InChIInChI=1S/C6H10N2O/c1-5-7-4-3-6(9)8(5)2/h3-4H2,1-2H3
InChIKeyOPJIPLUIYDWXLW-UHFFFAOYSA-N
XLogP0.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Diazabicyclo[4.3.0]non-5-en-2-one
CID 6423011
1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 12384565
1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 14109947
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
3-(dimethylamino)-N-methyl-3-methylimino-N-propan-2-ylpropanamide
CID 20672147
1-Methyl-2-propyl-4,5-dihydropyrimidin-6-one
CID 20707765
1-Propan-2-yl-4,5-dihydropyrimidin-6-one
CID 20785819
2,3-Dimethyl-4,5-dihydropyrimidin-6-one
CID 21341299
1-Ethyl-2-methyl-4,5-dihydropyrimidin-6-one
CID 21720732
1-Methyl-4,5-dihydropyrimidin-6-one
CID 54061083
1,2-Dimethylpyrimidine-4,6-dione
CID 54491245
1-Ethyl-4,5-dihydropyrimidin-6-one
CID 57720770

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1,2-dimethyl-4,5-dihydropyrimidin-6-one (CID 20707762) is 1,2-dimethyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1,2-dimethyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1,2-dimethyl-4,5-dihydropyrimidin-6-one is CC1=NCCC(=O)N1C.
What is the InChIKey of 1,2-dimethyl-4,5-dihydropyrimidin-6-one?
The InChIKey is OPJIPLUIYDWXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-7-4-3-6(9)8(5)2/h3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-4,5-dihydropyrimidin-6-one?
1,2-dimethyl-4,5-dihydropyrimidin-6-one has a molecular weight of 126.16 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 20707762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).