[6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C12H17F3N4S — CID 106776606

IUPAC[6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC1CCCC(Sc2cc(NN)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H17F3N4S/c1-7-3-2-4-8(5-7)20-10-6-9(19-16)17-11(18-10)12(13,14)15/h6-8H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyRKPVEJQMRFWWLV-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.45
Rot. Bonds3

About [6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776606) has the molecular formula C12H17F3N4S and a molecular weight of 306.36 g/mol. Its IUPAC name is [6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776606
Molecular FormulaC12H17F3N4S
Molecular Weight306.36 g/mol
Exact Mass306.11
IUPAC Name[6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC1CCCC(Sc2cc(NN)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H17F3N4S/c1-7-3-2-4-8(5-7)20-10-6-9(19-16)17-11(18-10)12(13,14)15/h6-8H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyRKPVEJQMRFWWLV-UHFFFAOYSA-N
XLogP3.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776606) is [6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CC1CCCC(Sc2cc(NN)nc(C(F)(F)F)n2)C1.
What is the InChIKey of [6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is RKPVEJQMRFWWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4S/c1-7-3-2-4-8(5-7)20-10-6-9(19-16)17-11(18-10)12(13,14)15/h6-8H,2-5,16H2,1H3,(H,17,18,19).
What are the key properties of [6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 306.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylcyclohexyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).