N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine

C9H16N4 — CID 83065040

IUPACN,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1nccnc1C
InChIInChI=1S/C9H16N4/c1-8-9(12-5-4-11-8)13(3)7-6-10-2/h4-5,10H,6-7H2,1-3H3
InChIKeyBOBZADQQMQJINF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.44
Rot. Bonds4

About N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine (PubChem CID 83065040) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
PubChem CID83065040
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1nccnc1C
InChIInChI=1S/C9H16N4/c1-8-9(12-5-4-11-8)13(3)7-6-10-2/h4-5,10H,6-7H2,1-3H3
InChIKeyBOBZADQQMQJINF-UHFFFAOYSA-N
XLogP0.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-methoxypyrazin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 104514417
N'-(3-fluoro-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine
CID 62733443
N,N',2-trimethyl-N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 106918100
N',2,2-trimethyl-N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83063799
N-benzyl-N,3-dimethylpyrazin-2-amine;ethane
CID 145242073
N'-(5,6-dimethoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 22372062
N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
CID 83064976
N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 63872493
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 62833182
N,N'-dimethyl-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65272066
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 80758625
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylpyrazin-2-amine
CID 83063231

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine (CID 83065040) is N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine is CNCCN(C)c1nccnc1C.
What is the InChIKey of N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
The InChIKey is BOBZADQQMQJINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8-9(12-5-4-11-8)13(3)7-6-10-2/h4-5,10H,6-7H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 83065040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).