2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine

C12H22N4 — CID 63759233

IUPAC2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine
SMILESCc1cnc(C)c(NC(CN)CC(C)C)n1
InChIInChI=1S/C12H22N4/c1-8(2)5-11(6-13)16-12-10(4)14-7-9(3)15-12/h7-8,11H,5-6,13H2,1-4H3,(H,15,16)
InChIKeyJVQOUHQMRKXBGQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.88
Rot. Bonds5

About 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine

2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine (PubChem CID 63759233) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine
PubChem CID63759233
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine
SMILESCc1cnc(C)c(NC(CN)CC(C)C)n1
InChIInChI=1S/C12H22N4/c1-8(2)5-11(6-13)16-12-10(4)14-7-9(3)15-12/h7-8,11H,5-6,13H2,1-4H3,(H,15,16)
InChIKeyJVQOUHQMRKXBGQ-UHFFFAOYSA-N
XLogP1.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3,6-dimethylpyrazin-2-yl)-3-methylbutane-1,2-diamine
CID 65192242
2-N-(3,6-dimethylpyrazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937408
2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol
CID 65417320
3,6-dimethyl-N-octan-4-ylpyrazin-2-amine
CID 114138448
1-N-(3,6-dimethylpyrazin-2-yl)-1-N',1-N'-dimethylethane-1,1-diamine
CID 70592392
2-N-(5-iodopyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 66319039
4-methyl-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)pentane-1,2-diamine
CID 63760564
3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
CID 114570963
2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 104606344
2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 114836303
4-methyl-2-N-(2-methylpyrimidin-4-yl)pentane-1,2-diamine
CID 63759606
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 63760989

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine (CID 63759233) is 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine is Cc1cnc(C)c(NC(CN)CC(C)C)n1.
What is the InChIKey of 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine?
The InChIKey is JVQOUHQMRKXBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8(2)5-11(6-13)16-12-10(4)14-7-9(3)15-12/h7-8,11H,5-6,13H2,1-4H3,(H,15,16).
What are the key properties of 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine?
2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,6-dimethylpyrazin-2-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 63759233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).