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

C11H19F3N6O — CID 106775656

IUPACN-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C11H19F3N6O/c1-20(5-6-21-2)4-3-16-8-7-9(19-15)18-10(17-8)11(12,13)14/h7H,3-6,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyKOYBQMAEZKXUQW-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.77
Rot. Bonds8

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

N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 106775656) has the molecular formula C11H19F3N6O and a molecular weight of 308.31 g/mol. Its IUPAC name is N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID106775656
Molecular FormulaC11H19F3N6O
Molecular Weight308.31 g/mol
Exact Mass308.16
IUPAC NameN-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C11H19F3N6O/c1-20(5-6-21-2)4-3-16-8-7-9(19-15)18-10(17-8)11(12,13)14/h7H,3-6,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyKOYBQMAEZKXUQW-UHFFFAOYSA-N
XLogP0.77
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80919403
6-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775663
[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776329
6-hydrazinyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775730
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958688
2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 62843269
6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106776163
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180
N-(2-hydrazinylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80918773
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771783
N-(6-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62849223
N'-(2-methoxyethyl)-N'-methyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 55126677

Frequently Asked Questions

What is the IUPAC name of N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 106775656) is N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is KOYBQMAEZKXUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N6O/c1-20(5-6-21-2)4-3-16-8-7-9(19-15)18-10(17-8)11(12,13)14/h7H,3-6,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 308.31 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 106775656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).