2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine

C16H22N4 — CID 80763352

IUPAC2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H22N4/c1-5-18-14-10-17-11-15(20-14)19-13-8-6-12(7-9-13)16(2,3)4/h6-11H,5H2,1-4H3,(H2,18,19,20)
InChIKeyPBLBTZMXYYVHJU-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.95
Rot. Bonds4

About 2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine

2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine (PubChem CID 80763352) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
PubChem CID80763352
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H22N4/c1-5-18-14-10-17-11-15(20-14)19-13-8-6-12(7-9-13)16(2,3)4/h6-11H,5H2,1-4H3,(H2,18,19,20)
InChIKeyPBLBTZMXYYVHJU-UHFFFAOYSA-N
XLogP3.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
CID 80761835
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine
CID 80768969
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine
CID 114258187
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80799502
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533
2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile
CID 80822691
2-N-(2,6-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80755020
5-N-butyl-3-N-(4-tert-butylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939983
6-N-ethyl-2-N-(3-methylbutyl)pyrazine-2,6-diamine
CID 78917989

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine (CID 80763352) is 2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine is CCNc1cncc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine?
The InChIKey is PBLBTZMXYYVHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-18-14-10-17-11-15(20-14)19-13-8-6-12(7-9-13)16(2,3)4/h6-11H,5H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine?
2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine is sourced from PubChem (CID 80763352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).