2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one

C6H10N2O — CID 89181426

IUPAC2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1=NC(C)CC(=O)N1
InChIInChI=1S/C6H10N2O/c1-4-3-6(9)8-5(2)7-4/h4H,3H2,1-2H3,(H,7,8,9)
InChIKeyFKLLAFHDHHTMBC-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.31
Rot. Bonds

About 2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one

2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 89181426) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID89181426
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1=NC(C)CC(=O)N1
InChIInChI=1S/C6H10N2O/c1-4-3-6(9)8-5(2)7-4/h4H,3H2,1-2H3,(H,7,8,9)
InChIKeyFKLLAFHDHHTMBC-UHFFFAOYSA-N
XLogP0.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-3-ium-6-one
CID 173378934
2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-3-ium-6-one
CID 173379155
2-(2-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550981
4-methyl-2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 173378935
2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 173379156
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 22084610
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59765878
2-ethyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 68346425
2-ethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 69298206

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one (CID 89181426) is 2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one is CC1=NC(C)CC(=O)N1.
What is the InChIKey of 2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is FKLLAFHDHHTMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-3-6(9)8-5(2)7-4/h4H,3H2,1-2H3,(H,7,8,9).
What are the key properties of 2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one?
2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 126.16 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 89181426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).