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

C6H8N2O — CID 135591008

IUPAC4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc[nH]c(=O)c1C
InChIInChI=1S/C6H8N2O/c1-4-5(2)7-3-8-6(4)9/h3H,1-2H3,(H,7,8,9)
InChIKeyHKZKHJGXIOEURG-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.39
Rot. Bonds

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

4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135591008) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135591008
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc[nH]c(=O)c1C
InChIInChI=1S/C6H8N2O/c1-4-5(2)7-3-8-6(4)9/h3H,1-2H3,(H,7,8,9)
InChIKeyHKZKHJGXIOEURG-UHFFFAOYSA-N
XLogP0.39
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759
5,6-Dimethylisocytosine
CID 135402388
6-Chloro-5-methylpyrimidin-4(1H)-one
CID 136034041
4-Pyrimidinol, 5-ethyl-6-methyl-
CID 135854967
5-Iodo-6-methylpyrimidin-4-ol
CID 135467448
2-Amino-3,5,6-trimethylpyrimidin-4-one
CID 2822937
4-Pyrimidinol, 6-amino-5-ethyl-
CID 135854957
6-Ethyl-5-methyl-4(3H)-pyrimidinone
CID 135591009
6-Amino-5-methyl-1,4-dihydropyrimidin-4-one
CID 135880323
5-Amino-6-methylpyrimidin-4(1H)-one
CID 135464047
5-Fluoro-6-methylpyrimidin-4-ol
CID 135435246
4-Hydroxy-5-methyl-6-trifluoromethylpyrimidine
CID 135588800

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-1H-pyrimidin-6-one (CID 135591008) is 4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is HKZKHJGXIOEURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-5(2)7-3-8-6(4)9/h3H,1-2H3,(H,7,8,9).
What are the key properties of 4,5-dimethyl-1H-pyrimidin-6-one?
4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 124.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135591008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).