6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

C8H10F3N3S2 — CID 106430892

IUPAC6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCSc1cc(NCCSC(F)(F)F)ncn1
InChIInChI=1S/C8H10F3N3S2/c1-15-7-4-6(13-5-14-7)12-2-3-16-8(9,10)11/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyVEAAEMMZDUYAGG-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.86
Rot. Bonds5

About 6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 106430892) has the molecular formula C8H10F3N3S2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID106430892
Molecular FormulaC8H10F3N3S2
Molecular Weight269.32 g/mol
Exact Mass269.03
IUPAC Name6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCSc1cc(NCCSC(F)(F)F)ncn1
InChIInChI=1S/C8H10F3N3S2/c1-15-7-4-6(13-5-14-7)12-2-3-16-8(9,10)11/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyVEAAEMMZDUYAGG-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(Methylsulfanyl)pyrimidin-4-amine
CID 238575
4,6-Bis(methylthio)pyrimidine
CID 238759
4-Isobutylsulfanyl-2,6-diisobutylamino-pyrimidine
CID 25130897
6-[2-(dimethylamino)ethylsulfanyl]-N-propan-2-ylpyrimidin-4-amine
CID 172436450
Pyrimidine, 4-methylamino-6-methylthio-
CID 79006689
6-(methylsulfanyl)-N-propylpyrimidin-4-amine
CID 80885847
Pyrimidine, 4-dimethylamino-6-methylthio-
CID 85653290
6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine
CID 610528
1-[2-(3-Sulfanylpropylsulfanyl)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20202821
4-[2-(2,2,2-Trifluoroethyl)guanidino]-2-(4-aminobut-2-ynylthio)pyrimidine
CID 20208690
1-Methyl-3-[3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropyl]thiourea
CID 20557675
4-[2-(2,2,2-Trifluoroethyl)guanidino]-2-[4-(2-cyano-3-methylguanidino)-butylthio]pyrimidine
CID 21298699

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 106430892) is 6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is CSc1cc(NCCSC(F)(F)F)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is VEAAEMMZDUYAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S2/c1-15-7-4-6(13-5-14-7)12-2-3-16-8(9,10)11/h4-5H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 269.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106430892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).