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

C12H20N4 — CID 114632747

IUPAC1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine
SMILESCc1cnc(C)c(NC2CC(N)C2(C)C)n1
InChIInChI=1S/C12H20N4/c1-7-6-14-8(2)11(15-7)16-10-5-9(13)12(10,3)4/h6,9-10H,5,13H2,1-4H3,(H,15,16)
InChIKeyDBSJKBRXADGJCW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.63
Rot. Bonds2

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

1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine (PubChem CID 114632747) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine
PubChem CID114632747
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine
SMILESCc1cnc(C)c(NC2CC(N)C2(C)C)n1
InChIInChI=1S/C12H20N4/c1-7-6-14-8(2)11(15-7)16-10-5-9(13)12(10,3)4/h6,9-10H,5,13H2,1-4H3,(H,15,16)
InChIKeyDBSJKBRXADGJCW-UHFFFAOYSA-N
XLogP1.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine?
The IUPAC name of 1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine (CID 114632747) is 1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine is Cc1cnc(C)c(NC2CC(N)C2(C)C)n1.
What is the InChIKey of 1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine?
The InChIKey is DBSJKBRXADGJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-7-6-14-8(2)11(15-7)16-10-5-9(13)12(10,3)4/h6,9-10H,5,13H2,1-4H3,(H,15,16).
What are the key properties of 1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine?
1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine is sourced from PubChem (CID 114632747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).