5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine

C13H11BrN6 — CID 59341927

IUPAC5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1NCc1ccc2ncncc2c1
InChIInChI=1S/C13H11BrN6/c14-11-6-17-12(15)13(20-11)18-4-8-1-2-10-9(3-8)5-16-7-19-10/h1-3,5-7H,4H2,(H2,15,17)(H,18,20)
InChIKeyDUJLSGQCBHKTTN-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.38
Rot. Bonds3

About 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine

5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine (PubChem CID 59341927) has the molecular formula C13H11BrN6 and a molecular weight of 331.18 g/mol. Its IUPAC name is 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine
PubChem CID59341927
Molecular FormulaC13H11BrN6
Molecular Weight331.18 g/mol
Exact Mass330.02
IUPAC Name5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1NCc1ccc2ncncc2c1
InChIInChI=1S/C13H11BrN6/c14-11-6-17-12(15)13(20-11)18-4-8-1-2-10-9(3-8)5-16-7-19-10/h1-3,5-7H,4H2,(H2,15,17)(H,18,20)
InChIKeyDUJLSGQCBHKTTN-UHFFFAOYSA-N
XLogP2.38
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine (CID 59341927) is 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine is Nc1ncc(Br)nc1NCc1ccc2ncncc2c1.
What is the InChIKey of 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine?
The InChIKey is DUJLSGQCBHKTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6/c14-11-6-17-12(15)13(20-11)18-4-8-1-2-10-9(3-8)5-16-7-19-10/h1-3,5-7H,4H2,(H2,15,17)(H,18,20).
What are the key properties of 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine?
5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine has a molecular weight of 331.18 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-(quinazolin-6-ylmethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 59341927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).