2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine

C15H20N4 — CID 80836441

IUPAC2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C15H20N4/c1-15(2,3)11-7-5-6-8-12(11)18-14-10-17-9-13(16-4)19-14/h5-10H,1-4H3,(H2,16,18,19)
InChIKeyNIIVBLCVKIJLRJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.56
Rot. Bonds3

About 2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine

2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine (PubChem CID 80836441) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine
PubChem CID80836441
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C15H20N4/c1-15(2,3)11-7-5-6-8-12(11)18-14-10-17-9-13(16-4)19-14/h5-10H,1-4H3,(H2,16,18,19)
InChIKeyNIIVBLCVKIJLRJ-UHFFFAOYSA-N
XLogP3.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835461
6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
CID 80736801
4-N-tert-butyl-6-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112863783
5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104534804
5-N-(2-tert-butylphenyl)-3-N-[3-(dimethylamino)propyl]-1,2,4-triazine-3,5-diamine
CID 112945686
6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine
CID 80759464
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
5-N-(2-tert-butylphenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948788
5-N-(2-tert-butylphenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964240
5-N-(2-tert-butylphenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963223
2-N-methyl-6-N-(2-methylphenyl)pyridine-2,6-diamine
CID 80755629
2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine
CID 80755142

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine (CID 80836441) is 2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine is CNc1cncc(Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine?
The InChIKey is NIIVBLCVKIJLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2,3)11-7-5-6-8-12(11)18-14-10-17-9-13(16-4)19-14/h5-10H,1-4H3,(H2,16,18,19).
What are the key properties of 2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine?
2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80836441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).