2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine

C12H22N4 — CID 102908730

IUPAC2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine
SMILESCC(C)C(CNc1cnc(N)cn1)C(C)C
InChIInChI=1S/C12H22N4/c1-8(2)10(9(3)4)5-15-12-7-14-11(13)6-16-12/h6-10H,5H2,1-4H3,(H2,13,14)(H,15,16)
InChIKeyQVQIYIGDWGUTGI-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.40
Rot. Bonds5

About 2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine

2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine (PubChem CID 102908730) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine
PubChem CID102908730
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine
SMILESCC(C)C(CNc1cnc(N)cn1)C(C)C
InChIInChI=1S/C12H22N4/c1-8(2)10(9(3)4)5-15-12-7-14-11(13)6-16-12/h6-10H,5H2,1-4H3,(H2,13,14)(H,15,16)
InChIKeyQVQIYIGDWGUTGI-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine (CID 102908730) is 2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine is CC(C)C(CNc1cnc(N)cn1)C(C)C.
What is the InChIKey of 2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine?
The InChIKey is QVQIYIGDWGUTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8(2)10(9(3)4)5-15-12-7-14-11(13)6-16-12/h6-10H,5H2,1-4H3,(H2,13,14)(H,15,16).
What are the key properties of 2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine?
2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine is sourced from PubChem (CID 102908730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).