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

C8H8F3N7S — CID 106774981

IUPACN-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nnnn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N7S/c1-12-4-3-5(14-6(13-4)8(9,10)11)19-7-15-16-17-18(7)2/h3H,1-2H3,(H,12,13,14)
InChIKeyMUIKHABJFFUOAL-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.21
Rot. Bonds3

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

N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774981) has the molecular formula C8H8F3N7S and a molecular weight of 291.26 g/mol. Its IUPAC name is N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774981
Molecular FormulaC8H8F3N7S
Molecular Weight291.26 g/mol
Exact Mass291.05
IUPAC NameN-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nnnn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N7S/c1-12-4-3-5(14-6(13-4)8(9,10)11)19-7-15-16-17-18(7)2/h3H,1-2H3,(H,12,13,14)
InChIKeyMUIKHABJFFUOAL-UHFFFAOYSA-N
XLogP1.21
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774981) is N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2nnnn2C)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MUIKHABJFFUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N7S/c1-12-4-3-5(14-6(13-4)8(9,10)11)19-7-15-16-17-18(7)2/h3H,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 291.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).