2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine

C13H17N5 — CID 80825043

IUPAC2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine
SMILESCCNc1cccc(NCc2cnc(C)cn2)n1
InChIInChI=1S/C13H17N5/c1-3-14-12-5-4-6-13(18-12)17-9-11-8-15-10(2)7-16-11/h4-8H,3,9H2,1-2H3,(H2,14,17,18)
InChIKeyMSVACDIVDSIULY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds5

About 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine

2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine (PubChem CID 80825043) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine
PubChem CID80825043
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine
SMILESCCNc1cccc(NCc2cnc(C)cn2)n1
InChIInChI=1S/C13H17N5/c1-3-14-12-5-4-6-13(18-12)17-9-11-8-15-10(2)7-16-11/h4-8H,3,9H2,1-2H3,(H2,14,17,18)
InChIKeyMSVACDIVDSIULY-UHFFFAOYSA-N
XLogP2.22
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80825317
N-[(5-methylpyrazin-2-yl)methyl]quinoxalin-2-amine
CID 62846299
6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine
CID 79827777
6-N-ethyl-2-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80804552
6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80825561
2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
CID 62846839
2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine
CID 80652610
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
6-N-[(5-methylpyrazin-2-yl)methyl]-3-nitropyridine-2,6-diamine
CID 79816009
2-hydrazinyl-6-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80919004
2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114766216
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80755274

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine (CID 80825043) is 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine is CCNc1cccc(NCc2cnc(C)cn2)n1.
What is the InChIKey of 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine?
The InChIKey is MSVACDIVDSIULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-14-12-5-4-6-13(18-12)17-9-11-8-15-10(2)7-16-11/h4-8H,3,9H2,1-2H3,(H2,14,17,18).
What are the key properties of 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine?
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80825043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).