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

C8H12F3N5S — CID 80914647

IUPAC6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5S/c1-17-7-14-5(4-6(15-7)16-12)13-3-2-8(9,10)11/h4H,2-3,12H2,1H3,(H2,13,14,15,16)
InChIKeyPGPRCKASVWVVPX-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.85
Rot. Bonds5

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

6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 80914647) has the molecular formula C8H12F3N5S and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID80914647
Molecular FormulaC8H12F3N5S
Molecular Weight267.28 g/mol
Exact Mass267.08
IUPAC Name6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCSc1nc(NN)cc(NCCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N5S/c1-17-7-14-5(4-6(15-7)16-12)13-3-2-8(9,10)11/h4H,2-3,12H2,1H3,(H2,13,14,15,16)
InChIKeyPGPRCKASVWVVPX-UHFFFAOYSA-N
XLogP1.85
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.85
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-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 80914647) is 6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CSc1nc(NN)cc(NCCC(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is PGPRCKASVWVVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5S/c1-17-7-14-5(4-6(15-7)16-12)13-3-2-8(9,10)11/h4H,2-3,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-hydrazinyl-2-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 267.28 g/mol, XLogP of 1.85, 5 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-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 80914647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).