6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C7H6F3N7S — CID 106774982

IUPAC6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1nnnc1Sc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N7S/c1-17-6(14-15-16-17)18-4-2-3(11)12-5(13-4)7(8,9)10/h2H,1H3,(H2,11,12,13)
InChIKeyCADCJDDRAASIKZ-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.75
Rot. Bonds2

About 6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774982) has the molecular formula C7H6F3N7S and a molecular weight of 277.24 g/mol. Its IUPAC name is 6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774982
Molecular FormulaC7H6F3N7S
Molecular Weight277.24 g/mol
Exact Mass277.04
IUPAC Name6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1nnnc1Sc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N7S/c1-17-6(14-15-16-17)18-4-2-3(11)12-5(13-4)7(8,9)10/h2H,1H3,(H2,11,12,13)
InChIKeyCADCJDDRAASIKZ-UHFFFAOYSA-N
XLogP0.75
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774982) is 6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is Cn1nnnc1Sc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CADCJDDRAASIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N7S/c1-17-6(14-15-16-17)18-4-2-3(11)12-5(13-4)7(8,9)10/h2H,1H3,(H2,11,12,13).
What are the key properties of 6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 277.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).