6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine

C14H18N4 — CID 80826170

IUPAC6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NCCc2cccc(C)c2)n1
InChIInChI=1S/C14H18N4/c1-11-4-3-5-12(8-11)6-7-17-14-10-16-9-13(15-2)18-14/h3-5,8-10H,6-7H2,1-2H3,(H2,15,17,18)
InChIKeyVFCDYDGEXGPIDB-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.48
Rot. Bonds5

About 6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine

6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine (PubChem CID 80826170) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine
PubChem CID80826170
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NCCc2cccc(C)c2)n1
InChIInChI=1S/C14H18N4/c1-11-4-3-5-12(8-11)6-7-17-14-10-16-9-13(15-2)18-14/h3-5,8-10H,6-7H2,1-2H3,(H2,15,17,18)
InChIKeyVFCDYDGEXGPIDB-UHFFFAOYSA-N
XLogP2.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-2-N-(2-phenylethyl)pyrazine-2,6-diamine
CID 80778395
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
6-N-[2-(3-methoxyphenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 107855522
6-N-methyl-2-N-(3-methylphenyl)pyrazine-2,6-diamine
CID 80755462
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
2-tert-butyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80958392
5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine
CID 103518035
2-tert-butyl-6-chloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80945638
N-[2-(3-methylphenyl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 78989285
6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 66325892

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine (CID 80826170) is 6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine is CNc1cncc(NCCc2cccc(C)c2)n1.
What is the InChIKey of 6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine?
The InChIKey is VFCDYDGEXGPIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-4-3-5-12(8-11)6-7-17-14-10-16-9-13(15-2)18-14/h3-5,8-10H,6-7H2,1-2H3,(H2,15,17,18).
What are the key properties of 6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine?
6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine is sourced from PubChem (CID 80826170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).