N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine

C10H17F3N6 — CID 114567188

IUPACN'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C10H17F3N6/c1-3-19(2)5-4-15-8-6-7(10(11,12)13)16-9(17-8)18-14/h6H,3-5,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyCNJMEVIXUWQFIM-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.14
Rot. Bonds6

About N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine

N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine (PubChem CID 114567188) has the molecular formula C10H17F3N6 and a molecular weight of 278.28 g/mol. Its IUPAC name is N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine
PubChem CID114567188
Molecular FormulaC10H17F3N6
Molecular Weight278.28 g/mol
Exact Mass278.15
IUPAC NameN'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C10H17F3N6/c1-3-19(2)5-4-15-8-6-7(10(11,12)13)16-9(17-8)18-14/h6H,3-5,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyCNJMEVIXUWQFIM-UHFFFAOYSA-N
XLogP1.14
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.14
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

N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043678
2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567205
2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,1-dimethylhydrazine
CID 114567551
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616
N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566995
4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563903
N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 106012981
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
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114567617

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine (CID 114567188) is N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine is CCN(C)CCNc1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine?
The InChIKey is CNJMEVIXUWQFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N6/c1-3-19(2)5-4-15-8-6-7(10(11,12)13)16-9(17-8)18-14/h6H,3-5,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine?
N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine has a molecular weight of 278.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 114567188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).