5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione

C8H12N2S2 — CID 106476797

IUPAC5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
SMILESCSCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C8H12N2S2/c1-5-6(2)9-7(4-12-3)10-8(5)11/h4H2,1-3H3,(H,9,10,11)
InChIKeyRUZALAICHNDVRB-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.62
Rot. Bonds2

About 5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione

5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione (PubChem CID 106476797) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
PubChem CID106476797
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
SMILESCSCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C8H12N2S2/c1-5-6(2)9-7(4-12-3)10-8(5)11/h4H2,1-3H3,(H,9,10,11)
InChIKeyRUZALAICHNDVRB-UHFFFAOYSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5,6-trimethyl-1H-pyrimidine-4-thione
CID 53976269
2-ethylsulfanyl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 57894742
2-ethyl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 94077048
6-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106475672
2-(tert-butylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475673
6-methyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106475777
6-methyl-2-(propylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106475785
2-(ethylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475787
2-(cyclopentylsulfanylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476590
5,6-dimethyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidine-4-thione
CID 106476592
5,6-dimethyl-2-(methylsulfonylmethyl)-1H-pyrimidine-4-thione
CID 106476662
5,6-dimethyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106476695

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione (CID 106476797) is 5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione is CSCc1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione?
The InChIKey is RUZALAICHNDVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-5-6(2)9-7(4-12-3)10-8(5)11/h4H2,1-3H3,(H,9,10,11).
What are the key properties of 5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione has a molecular weight of 200.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).