6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine

C14H11BrN4 — CID 2072948

IUPAC6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCc3cccnc3)c2c1
InChIInChI=1S/C14H11BrN4/c15-11-3-4-13-12(6-11)14(19-9-18-13)17-8-10-2-1-5-16-7-10/h1-7,9H,8H2,(H,17,18,19)
InChIKeyLOJJSHJKBLDRED-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.40
Rot. Bonds3

About 6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine

6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine (PubChem CID 2072948) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine
PubChem CID2072948
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCc3cccnc3)c2c1
InChIInChI=1S/C14H11BrN4/c15-11-3-4-13-12(6-11)14(19-9-18-13)17-8-10-2-1-5-16-7-10/h1-7,9H,8H2,(H,17,18,19)
InChIKeyLOJJSHJKBLDRED-UHFFFAOYSA-N
XLogP3.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine (CID 2072948) is 6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine is Brc1ccc2ncnc(NCc3cccnc3)c2c1.
What is the InChIKey of 6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is LOJJSHJKBLDRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-11-3-4-13-12(6-11)14(19-9-18-13)17-8-10-2-1-5-16-7-10/h1-7,9H,8H2,(H,17,18,19).
What are the key properties of 6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine has a molecular weight of 315.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(pyridin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 2072948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).