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

C6H6F3N3S — CID 610528

IUPAC6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3S/c1-13-4-2-3(10)11-5(12-4)6(7,8)9/h2H,1H3,(H2,10,11,12)
InChIKeyPOOOPUXEGBEVHY-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.80
Rot. Bonds1

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

6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 610528) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID610528
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC Name6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3S/c1-13-4-2-3(10)11-5(12-4)6(7,8)9/h2H,1H3,(H2,10,11,12)
InChIKeyPOOOPUXEGBEVHY-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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Related Compounds

6-Methylthio-pyrimidine-2,4-diamine
CID 235893
6-(Methylsulfanyl)pyrimidin-4-amine
CID 238575
4-Chloro-2-methyl-6-(methylthio)pyrimidine
CID 56924430
4-Pyrimidinamine, 6-(butylthio)-2-chloro-
CID 478116
Pyrimidine, 4-methylamino-6-methylthio-
CID 79006689
6-(methylsulfanyl)-N-propylpyrimidin-4-amine
CID 80885847
2-Chloro-4-fluoro-6-methylsulfanylpyrimidine
CID 139215042
6-(Tert-butylsulfanyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 929995
2-Methyl-4-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 18711427
4-(Methylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 33697886
2-(3,3,3-Trifluoropropylsulfanyl)pyrimidine-4,6-diamine
CID 60425578
2-(2,2-Difluorocyclopropyl)-4,6-bis(methylthio)pyrimidine
CID 117679235

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 610528) is 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CSc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is POOOPUXEGBEVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c1-13-4-2-3(10)11-5(12-4)6(7,8)9/h2H,1H3,(H2,10,11,12).
What are the key properties of 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-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 6-methylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 610528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).