1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one

C8H12N2OS — CID 155185320

IUPAC1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one
SMILESCc1c(C)n(C)c(=O)n(C)c1=S
InChIInChI=1S/C8H12N2OS/c1-5-6(2)9(3)8(11)10(4)7(5)12/h1-4H3
InChIKeyYQTRSKNKGZGDOU-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.07
Rot. Bonds

About 1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one

1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one (PubChem CID 155185320) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one.

Molecular Properties

Compound Name1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one
PubChem CID155185320
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one
SMILESCc1c(C)n(C)c(=O)n(C)c1=S
InChIInChI=1S/C8H12N2OS/c1-5-6(2)9(3)8(11)10(4)7(5)12/h1-4H3
InChIKeyYQTRSKNKGZGDOU-UHFFFAOYSA-N
XLogP1.07
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one?
The IUPAC name of 1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one (CID 155185320) is 1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one.
What is the SMILES notation for 1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one?
The canonical SMILES for 1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one is Cc1c(C)n(C)c(=O)n(C)c1=S.
What is the InChIKey of 1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one?
The InChIKey is YQTRSKNKGZGDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5-6(2)9(3)8(11)10(4)7(5)12/h1-4H3.
What are the key properties of 1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one?
1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one has a molecular weight of 184.26 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one is sourced from PubChem (CID 155185320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).