2,5,6-trimethyl-3-sulfanylpyrimidin-4-one

C7H10N2OS — CID 163438151

IUPAC2,5,6-trimethyl-3-sulfanylpyrimidin-4-one
SMILESCc1nc(C)n(S)c(=O)c1C
InChIInChI=1S/C7H10N2OS/c1-4-5(2)8-6(3)9(11)7(4)10/h11H,1-3H3
InChIKeyAWGOWSJKOPKILM-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.86
Rot. Bonds

About 2,5,6-trimethyl-3-sulfanylpyrimidin-4-one

2,5,6-trimethyl-3-sulfanylpyrimidin-4-one (PubChem CID 163438151) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-sulfanylpyrimidin-4-one.

Molecular Properties

Compound Name2,5,6-trimethyl-3-sulfanylpyrimidin-4-one
PubChem CID163438151
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2,5,6-trimethyl-3-sulfanylpyrimidin-4-one
SMILESCc1nc(C)n(S)c(=O)c1C
InChIInChI=1S/C7H10N2OS/c1-4-5(2)8-6(3)9(11)7(4)10/h11H,1-3H3
InChIKeyAWGOWSJKOPKILM-UHFFFAOYSA-N
XLogP0.86
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,5,6-Trimethylpyrimidin-4-ol
CID 135591004
6-Methyl-2-methyl-sulfanylpyrimidin-4(3h)-one
CID 129767643
6-(Fluoromethyl)-2,5-dimethyl-4(3H)-pyrimidinone
CID 165348257
2,3,5,6-Tetramethylpyrimidin-4-one
CID 13149275
2,3,6,7,9-Pentamethylpyrazino[1,2-a]pyrimidin-4-one
CID 20583166
3-Ethyl-2,5,6-trimethylpyrimidin-4-one
CID 22091870
1,2,5,6-Tetramethylpyrimidin-4-one
CID 58821037
2-Ethyl-5,6-dimethylpyrimidin-4-ol
CID 135740331
CID 135996730
CID 135996730
2-(deuteriomethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136055514
Ethane;2,3,5,6-tetramethylpyrimidin-4-one
CID 143247986
ethane;2,4,5-trimethyl-1H-pyrimidin-6-one
CID 143915849

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-sulfanylpyrimidin-4-one?
The IUPAC name of 2,5,6-trimethyl-3-sulfanylpyrimidin-4-one (CID 163438151) is 2,5,6-trimethyl-3-sulfanylpyrimidin-4-one.
What is the SMILES notation for 2,5,6-trimethyl-3-sulfanylpyrimidin-4-one?
The canonical SMILES for 2,5,6-trimethyl-3-sulfanylpyrimidin-4-one is Cc1nc(C)n(S)c(=O)c1C.
What is the InChIKey of 2,5,6-trimethyl-3-sulfanylpyrimidin-4-one?
The InChIKey is AWGOWSJKOPKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-4-5(2)8-6(3)9(11)7(4)10/h11H,1-3H3.
What are the key properties of 2,5,6-trimethyl-3-sulfanylpyrimidin-4-one?
2,5,6-trimethyl-3-sulfanylpyrimidin-4-one has a molecular weight of 170.24 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-sulfanylpyrimidin-4-one is sourced from PubChem (CID 163438151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).