4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine

C6H6F3N3S — CID 83916672

IUPAC4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCSc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C6H6F3N3S/c1-13-4-2-3(6(7,8)9)11-5(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKeyDERXNCKYJXCMRJ-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.80
Rot. Bonds1

About 4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine

4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 83916672) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID83916672
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC Name4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCSc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C6H6F3N3S/c1-13-4-2-3(6(7,8)9)11-5(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKeyDERXNCKYJXCMRJ-UHFFFAOYSA-N
XLogP1.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 83916672) is 4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine is CSc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DERXNCKYJXCMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c1-13-4-2-3(6(7,8)9)11-5(10)12-4/h2H,1H3,(H2,10,11,12).
What are the key properties of 4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 209.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 83916672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).