2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine

C13H17N5 — CID 80652405

IUPAC2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
SMILESCCN(Cc1cccc(C)n1)c1cnc(N)cn1
InChIInChI=1S/C13H17N5/c1-3-18(13-8-15-12(14)7-16-13)9-11-6-4-5-10(2)17-11/h4-8H,3,9H2,1-2H3,(H2,14,15)
InChIKeyIABAQGSVDWAARY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.79
Rot. Bonds4

About 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine

2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine (PubChem CID 80652405) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
PubChem CID80652405
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
SMILESCCN(Cc1cccc(C)n1)c1cnc(N)cn1
InChIInChI=1S/C13H17N5/c1-3-18(13-8-15-12(14)7-16-13)9-11-6-4-5-10(2)17-11/h4-8H,3,9H2,1-2H3,(H2,14,15)
InChIKeyIABAQGSVDWAARY-UHFFFAOYSA-N
XLogP1.79
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80851849
6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 83128125
N-ethyl-6-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80926425
2-N-ethyl-2-N-(pyridin-4-ylmethyl)pyrazine-2,5-diamine
CID 80653271
2-N,6-N-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,6-diamine
CID 80852067
(1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol
CID 83131657
6-N-ethyl-6-N-[(6-methyl-2-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114785682
6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80947381
4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838856
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 104711102
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547773
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544861

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine (CID 80652405) is 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine is CCN(Cc1cccc(C)n1)c1cnc(N)cn1.
What is the InChIKey of 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine?
The InChIKey is IABAQGSVDWAARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-18(13-8-15-12(14)7-16-13)9-11-6-4-5-10(2)17-11/h4-8H,3,9H2,1-2H3,(H2,14,15).
What are the key properties of 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine?
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine is sourced from PubChem (CID 80652405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).