6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C8H12F3N5S — CID 80898769

IUPAC6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5S/c1-16(4-8(9,10)11)6-3-5(15-12)13-7(14-6)17-2/h3H,4,12H2,1-2H3,(H,13,14,15)
InChIKeyQLELIWUCCFEOJD-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.48
Rot. Bonds4

About 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80898769) has the molecular formula C8H12F3N5S and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80898769
Molecular FormulaC8H12F3N5S
Molecular Weight267.28 g/mol
Exact Mass267.08
IUPAC Name6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)CC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5S/c1-16(4-8(9,10)11)6-3-5(15-12)13-7(14-6)17-2/h3H,4,12H2,1-2H3,(H,13,14,15)
InChIKeyQLELIWUCCFEOJD-UHFFFAOYSA-N
XLogP1.48
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80898769) is 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CSc1nc(NN)cc(N(C)CC(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is QLELIWUCCFEOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5S/c1-16(4-8(9,10)11)6-3-5(15-12)13-7(14-6)17-2/h3H,4,12H2,1-2H3,(H,13,14,15).
What are the key properties of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 267.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80898769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).