3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine

C16H16N4 — CID 81423227

IUPAC3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
SMILESCc1cnc(C)c(NCc2cccc3cccnc23)n1
InChIInChI=1S/C16H16N4/c1-11-9-18-12(2)16(20-11)19-10-14-6-3-5-13-7-4-8-17-15(13)14/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeySFLZUGFWTWVAOY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.25
Rot. Bonds3

About 3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine

3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine (PubChem CID 81423227) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
PubChem CID81423227
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
SMILESCc1cnc(C)c(NCc2cccc3cccnc23)n1
InChIInChI=1S/C16H16N4/c1-11-9-18-12(2)16(20-11)19-10-14-6-3-5-13-7-4-8-17-15(13)14/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeySFLZUGFWTWVAOY-UHFFFAOYSA-N
XLogP3.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine (CID 81423227) is 3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine is Cc1cnc(C)c(NCc2cccc3cccnc23)n1.
What is the InChIKey of 3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine?
The InChIKey is SFLZUGFWTWVAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-9-18-12(2)16(20-11)19-10-14-6-3-5-13-7-4-8-17-15(13)14/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine?
3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 81423227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).