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

C7H12N2O — CID 22084610

IUPAC2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1=NC(C)C(C)C(=O)N1
InChIInChI=1S/C7H12N2O/c1-4-5(2)8-6(3)9-7(4)10/h4-5H,1-3H3,(H,8,9,10)
InChIKeyIBXABTRMWGUSQL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.56
Rot. Bonds

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

2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 22084610) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID22084610
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1=NC(C)C(C)C(=O)N1
InChIInChI=1S/C7H12N2O/c1-4-5(2)8-6(3)9-7(4)10/h4-5H,1-3H3,(H,8,9,10)
InChIKeyIBXABTRMWGUSQL-UHFFFAOYSA-N
XLogP0.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 173379156
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
2,3,4,5-Tetramethyl-4,5-dihydropyrimidin-6-one
CID 20647141
1,2,4,5-Tetramethyl-4,5-dihydropyrimidin-6-one
CID 20695500
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
2-amino-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 51062286
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
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
5-ethyl-2-methyl-1H-pyrimidine-4,6-dione
CID 75088261
2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 89181426

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one (CID 22084610) is 2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one is CC1=NC(C)C(C)C(=O)N1.
What is the InChIKey of 2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is IBXABTRMWGUSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-5(2)8-6(3)9-7(4)10/h4-5H,1-3H3,(H,8,9,10).
What are the key properties of 2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one?
2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 140.19 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 22084610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).