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

C9H14F3N5S — CID 80901315

IUPACN-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1cc(NN)nc(SC)n1
InChIInChI=1S/C9H14F3N5S/c1-3-17(5-9(10,11)12)7-4-6(16-13)14-8(15-7)18-2/h4H,3,5,13H2,1-2H3,(H,14,15,16)
InChIKeyKAPFJWYRZHFPKU-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.87
Rot. Bonds5

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

N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80901315) has the molecular formula C9H14F3N5S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80901315
Molecular FormulaC9H14F3N5S
Molecular Weight281.31 g/mol
Exact Mass281.09
IUPAC NameN-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1cc(NN)nc(SC)n1
InChIInChI=1S/C9H14F3N5S/c1-3-17(5-9(10,11)12)7-4-6(16-13)14-8(15-7)18-2/h4H,3,5,13H2,1-2H3,(H,14,15,16)
InChIKeyKAPFJWYRZHFPKU-UHFFFAOYSA-N
XLogP1.87
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.87
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 N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80901315) is N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCN(CC(F)(F)F)c1cc(NN)nc(SC)n1.
What is the InChIKey of N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is KAPFJWYRZHFPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5S/c1-3-17(5-9(10,11)12)7-4-6(16-13)14-8(15-7)18-2/h4H,3,5,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 281.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hydrazinyl-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80901315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).