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

C9H8F3N7S — CID 106774893

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Sc2nnnn2C2CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N7S/c10-9(11,12)7-14-5(13)3-6(15-7)20-8-16-17-18-19(8)4-1-2-4/h3-4H,1-2H2,(H2,13,14,15)
InChIKeySWFGNPPXVKMPBZ-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.55
Rot. Bonds3

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

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774893) has the molecular formula C9H8F3N7S and a molecular weight of 303.27 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774893
Molecular FormulaC9H8F3N7S
Molecular Weight303.27 g/mol
Exact Mass303.05
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Sc2nnnn2C2CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N7S/c10-9(11,12)7-14-5(13)3-6(15-7)20-8-16-17-18-19(8)4-1-2-4/h3-4H,1-2H2,(H2,13,14,15)
InChIKeySWFGNPPXVKMPBZ-UHFFFAOYSA-N
XLogP1.55
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774893) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(Sc2nnnn2C2CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SWFGNPPXVKMPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N7S/c10-9(11,12)7-14-5(13)3-6(15-7)20-8-16-17-18-19(8)4-1-2-4/h3-4H,1-2H2,(H2,13,14,15).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).