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

C7H10F3N5S — CID 80943875

IUPAC6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N5S/c1-16-6-13-4(2-5(14-6)15-11)12-3-7(8,9)10/h2H,3,11H2,1H3,(H2,12,13,14,15)
InChIKeyOEVLERDRPDLBAI-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.46
Rot. Bonds4

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

6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80943875) has the molecular formula C7H10F3N5S and a molecular weight of 253.25 g/mol. Its IUPAC name is 6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80943875
Molecular FormulaC7H10F3N5S
Molecular Weight253.25 g/mol
Exact Mass253.06
IUPAC Name6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N5S/c1-16-6-13-4(2-5(14-6)15-11)12-3-7(8,9)10/h2H,3,11H2,1H3,(H2,12,13,14,15)
InChIKeyOEVLERDRPDLBAI-UHFFFAOYSA-N
XLogP1.46
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.46
H-Bond Donors ≤ 53
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-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80943875) is 6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CSc1nc(NN)cc(NCC(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is OEVLERDRPDLBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5S/c1-16-6-13-4(2-5(14-6)15-11)12-3-7(8,9)10/h2H,3,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 253.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80943875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).