N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

C11H11ClF3N5S — CID 106043835

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCCc2ccc(Cl)s2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H11ClF3N5S/c12-8-2-1-6(21-8)3-4-17-9-5-7(11(13,14)15)18-10(19-9)20-16/h1-2,5H,3-4,16H2,(H2,17,18,19,20)
InChIKeyCSCMDENDLFJUEG-UHFFFAOYSA-N
MW337.76 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106043835) has the molecular formula C11H11ClF3N5S and a molecular weight of 337.76 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106043835
Molecular FormulaC11H11ClF3N5S
Molecular Weight337.76 g/mol
Exact Mass337.04
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCCc2ccc(Cl)s2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H11ClF3N5S/c12-8-2-1-6(21-8)3-4-17-9-5-7(11(13,14)15)18-10(19-9)20-16/h1-2,5H,3-4,16H2,(H2,17,18,19,20)
InChIKeyCSCMDENDLFJUEG-UHFFFAOYSA-N
XLogP3.15
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.15
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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Related Compounds

4-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106042451
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 106043791
N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566995
2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567205
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 106012981
N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567634
2-N-ethyl-4-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563913
2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114169698
2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567594
N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043678

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 106043835) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is NNc1nc(NCCc2ccc(Cl)s2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CSCMDENDLFJUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5S/c12-8-2-1-6(21-8)3-4-17-9-5-7(11(13,14)15)18-10(19-9)20-16/h1-2,5H,3-4,16H2,(H2,17,18,19,20).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 337.76 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106043835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).