6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine

C11H17F3N4 — CID 90391789

IUPAC6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine
SMILESCC(Nc1cnc(C(F)(F)F)c(N)n1)C(C)(C)C
InChIInChI=1S/C11H17F3N4/c1-6(10(2,3)4)17-7-5-16-8(9(15)18-7)11(12,13)14/h5-6H,1-4H3,(H3,15,17,18)
InChIKeyKDEUQSAJWXAUPH-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.92
Rot. Bonds2

About 6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine

6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine (PubChem CID 90391789) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine
PubChem CID90391789
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine
SMILESCC(Nc1cnc(C(F)(F)F)c(N)n1)C(C)(C)C
InChIInChI=1S/C11H17F3N4/c1-6(10(2,3)4)17-7-5-16-8(9(15)18-7)11(12,13)14/h5-6H,1-4H3,(H3,15,17,18)
InChIKeyKDEUQSAJWXAUPH-UHFFFAOYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine (CID 90391789) is 6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine is CC(Nc1cnc(C(F)(F)F)c(N)n1)C(C)(C)C.
What is the InChIKey of 6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine?
The InChIKey is KDEUQSAJWXAUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-6(10(2,3)4)17-7-5-16-8(9(15)18-7)11(12,13)14/h5-6H,1-4H3,(H3,15,17,18).
What are the key properties of 6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine?
6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 90391789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).