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

C7H10N2O — CID 135591004

IUPAC2,4,5-trimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O/c1-4-5(2)8-6(3)9-7(4)10/h1-3H3,(H,8,9,10)
InChIKeyBIXKUCQZIIOIEC-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.70
Rot. Bonds

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

2,4,5-trimethyl-1H-pyrimidin-6-one (PubChem CID 135591004) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,4,5-trimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4,5-trimethyl-1H-pyrimidin-6-one
PubChem CID135591004
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2,4,5-trimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2O/c1-4-5(2)8-6(3)9-7(4)10/h1-3H3,(H,8,9,10)
InChIKeyBIXKUCQZIIOIEC-UHFFFAOYSA-N
XLogP0.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dimethyl-1H-pyrimidin-4-one
CID 135408640
5-amino-2,4-dimethyl-1H-pyrimidin-6-one;hydrochloride
CID 135439769
6-Chloro-2,5-dimethylpyrimidin-4-ol
CID 135538365
4-Pyrimidinol, 6-amino-2,5-dimethyl-
CID 135592941
4-Pyrimidinol, 6-amino-5-ethyl-2-methyl-
CID 135854958
5,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4(1H)-one
CID 135419009
2-(2-Aminobutan-2-yl)-5,6-dimethyl-1,4-dihydropyrimidin-4-one
CID 135962919
2,5-Dimethylpyrimidine-4,6-diol
CID 237015
5-Fluoro-2,6-dimethylpyrimidin-4(1h)-one
CID 135416969
5-Amino-2,6-dimethylpyrimidin-4-ol
CID 135439770
2-Ethyl-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
CID 135909901
5-Iodo-2,6-dimethylpyrimidin-4-ol
CID 135447935

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4,5-trimethyl-1H-pyrimidin-6-one (CID 135591004) is 2,4,5-trimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4,5-trimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4,5-trimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of 2,4,5-trimethyl-1H-pyrimidin-6-one?
The InChIKey is BIXKUCQZIIOIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-5(2)8-6(3)9-7(4)10/h1-3H3,(H,8,9,10).
What are the key properties of 2,4,5-trimethyl-1H-pyrimidin-6-one?
2,4,5-trimethyl-1H-pyrimidin-6-one has a molecular weight of 138.17 g/mol, XLogP of 0.70, 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-1H-pyrimidin-6-one is sourced from PubChem (CID 135591004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).