6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione

C9H12N2S2 — CID 106475756

IUPAC6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCCS2)[nH]1
InChIInChI=1S/C9H12N2S2/c1-6-5-8(12)11-9(10-6)7-3-2-4-13-7/h5,7H,2-4H2,1H3,(H,10,11,12)
InChIKeyWZTJOFDMOWPYGL-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.02
Rot. Bonds1

About 6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione

6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475756) has the molecular formula C9H12N2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475756
Molecular FormulaC9H12N2S2
Molecular Weight212.34 g/mol
Exact Mass212.04
IUPAC Name6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCCS2)[nH]1
InChIInChI=1S/C9H12N2S2/c1-6-5-8(12)11-9(10-6)7-3-2-4-13-7/h5,7H,2-4H2,1H3,(H,10,11,12)
InChIKeyWZTJOFDMOWPYGL-UHFFFAOYSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.02
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

6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
CID 106475254
6-propan-2-yl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
CID 106475508
2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475564
6-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidine-4-thione
CID 106475567
2-(3-ethyl-1,4-dithian-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475568
6-methyl-2-(thian-2-yl)-1H-pyrimidine-4-thione
CID 106475648
6-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106475672
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475692
6-methyl-2-(propylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106475785
2-(butan-2-ylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475786
2-(ethylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475787
2-(1,4-dithian-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475790

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione (CID 106475756) is 6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2CCCS2)[nH]1.
What is the InChIKey of 6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is WZTJOFDMOWPYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S2/c1-6-5-8(12)11-9(10-6)7-3-2-4-13-7/h5,7H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione?
6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 212.34 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).