6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C9H14F3N5S — CID 80924210

IUPAC6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)CCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5S/c1-17(4-3-9(10,11)12)7-5-6(16-13)14-8(15-7)18-2/h5H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyXJPGVRPITZJFIF-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.87
Rot. Bonds5

About 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 80924210) has the molecular formula C9H14F3N5S and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID80924210
Molecular FormulaC9H14F3N5S
Molecular Weight281.31 g/mol
Exact Mass281.09
IUPAC Name6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(N(C)CCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5S/c1-17(4-3-9(10,11)12)7-5-6(16-13)14-8(15-7)18-2/h5H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyXJPGVRPITZJFIF-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 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 80924210) is 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CSc1nc(NN)cc(N(C)CCC(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is XJPGVRPITZJFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5S/c1-17(4-3-9(10,11)12)7-5-6(16-13)14-8(15-7)18-2/h5H,3-4,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)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 6-hydrazinyl-N-methyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 80924210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).