4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine

C6H6N6S — CID 130686231

IUPAC4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine
SMILESCc1ccnc(Sc2nn[nH]n2)n1
InChIInChI=1S/C6H6N6S/c1-4-2-3-7-5(8-4)13-6-9-11-12-10-6/h2-3H,1H3,(H,9,10,11,12)
InChIKeyUDFHZCKAEHMFAY-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.45
Rot. Bonds2

About 4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine

4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine (PubChem CID 130686231) has the molecular formula C6H6N6S and a molecular weight of 194.22 g/mol. Its IUPAC name is 4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine
PubChem CID130686231
Molecular FormulaC6H6N6S
Molecular Weight194.22 g/mol
Exact Mass194.04
IUPAC Name4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine
SMILESCc1ccnc(Sc2nn[nH]n2)n1
InChIInChI=1S/C6H6N6S/c1-4-2-3-7-5(8-4)13-6-9-11-12-10-6/h2-3H,1H3,(H,9,10,11,12)
InChIKeyUDFHZCKAEHMFAY-UHFFFAOYSA-N
XLogP0.45
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine?
The IUPAC name of 4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine (CID 130686231) is 4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine?
The canonical SMILES for 4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine is Cc1ccnc(Sc2nn[nH]n2)n1.
What is the InChIKey of 4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine?
The InChIKey is UDFHZCKAEHMFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6S/c1-4-2-3-7-5(8-4)13-6-9-11-12-10-6/h2-3H,1H3,(H,9,10,11,12).
What are the key properties of 4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine?
4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine has a molecular weight of 194.22 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine is sourced from PubChem (CID 130686231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).