2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine

C13H16N4 — CID 80652508

IUPAC2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine
SMILESCc1ccc(CN(C)c2cnc(N)cn2)cc1
InChIInChI=1S/C13H16N4/c1-10-3-5-11(6-4-10)9-17(2)13-8-15-12(14)7-16-13/h3-8H,9H2,1-2H3,(H2,14,15)
InChIKeyWSEYLCTYXSXGOC-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds3

About 2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine

2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine (PubChem CID 80652508) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine
PubChem CID80652508
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine
SMILESCc1ccc(CN(C)c2cnc(N)cn2)cc1
InChIInChI=1S/C13H16N4/c1-10-3-5-11(6-4-10)9-17(2)13-8-15-12(14)7-16-13/h3-8H,9H2,1-2H3,(H2,14,15)
InChIKeyWSEYLCTYXSXGOC-UHFFFAOYSA-N
XLogP2.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 80633800
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 62183230
4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925259
4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80945206
6-chloro-4-N-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 31537685
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
2-N-methyl-2-N-propylpyrazine-2,5-diamine
CID 80652247
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol
CID 80652394
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide
CID 28799322
2-N,4-N,4-N-trimethyl-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80764929
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80765009

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine (CID 80652508) is 2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine is Cc1ccc(CN(C)c2cnc(N)cn2)cc1.
What is the InChIKey of 2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine?
The InChIKey is WSEYLCTYXSXGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-3-5-11(6-4-10)9-17(2)13-8-15-12(14)7-16-13/h3-8H,9H2,1-2H3,(H2,14,15).
What are the key properties of 2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine?
2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine is sourced from PubChem (CID 80652508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).