[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C10H13F3N4OS — CID 106498029

IUPAC[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(SCC2CCCO2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)7-4-8(16-9(15-7)17-14)19-5-6-2-1-3-18-6/h4,6H,1-3,5,14H2,(H,15,16,17)
InChIKeyWKIXIHLVEOBMEU-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.05
Rot. Bonds4

About [4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 106498029) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is [4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID106498029
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC Name[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(SCC2CCCO2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)7-4-8(16-9(15-7)17-14)19-5-6-2-1-3-18-6/h4,6H,1-3,5,14H2,(H,15,16,17)
InChIKeyWKIXIHLVEOBMEU-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.05
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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Related Compounds

4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 106768785
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567025
4-hydrazinyl-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106498020
N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497707
4-(cyclopentylmethylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566838
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
N,N-diethyl-4-hydrazinyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106497966
N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566995
[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 114045275
N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 106012981
6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 43301504
[4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567844

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 106498029) is [4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nc(SCC2CCCO2)cc(C(F)(F)F)n1.
What is the InChIKey of [4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is WKIXIHLVEOBMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c11-10(12,13)7-4-8(16-9(15-7)17-14)19-5-6-2-1-3-18-6/h4,6H,1-3,5,14H2,(H,15,16,17).
What are the key properties of [4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 294.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 106498029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).