N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine

C9H16N4 — CID 62659686

IUPACN'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine
SMILESCNCCNc1nc(C)cnc1C
InChIInChI=1S/C9H16N4/c1-7-6-12-8(2)9(13-7)11-5-4-10-3/h6,10H,4-5H2,1-3H3,(H,11,13)
InChIKeyIGJHDGIDDKNTIT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.72
Rot. Bonds4

About N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine

N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine (PubChem CID 62659686) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine
PubChem CID62659686
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine
SMILESCNCCNc1nc(C)cnc1C
InChIInChI=1S/C9H16N4/c1-7-6-12-8(2)9(13-7)11-5-4-10-3/h6,10H,4-5H2,1-3H3,(H,11,13)
InChIKeyIGJHDGIDDKNTIT-UHFFFAOYSA-N
XLogP0.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,6-dimethyl-N-pentylpyrazin-2-amine
CID 60631563
N'-(3,6-dimethylpyrazin-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83029881
N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine
CID 61019786
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499
N-(4-chloropentyl)-3,6-dimethylpyrazin-2-amine
CID 106124735
3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine
CID 133469573
N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 114134141
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
3,6-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazin-2-amine
CID 65416240
N-(2-chloroprop-2-enyl)-3,6-dimethylpyrazin-2-amine
CID 104695502
3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149
N-[2-(2-aminophenoxy)ethyl]-3,6-dimethylpyrazin-2-amine
CID 54915740

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine (CID 62659686) is N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine is CNCCNc1nc(C)cnc1C.
What is the InChIKey of N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is IGJHDGIDDKNTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-6-12-8(2)9(13-7)11-5-4-10-3/h6,10H,4-5H2,1-3H3,(H,11,13).
What are the key properties of N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine?
N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62659686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).