6-bromo-4-pyridin-2-ylsulfanylquinazoline

C13H8BrN3S — CID 21002564

IUPAC6-bromo-4-pyridin-2-ylsulfanylquinazoline
SMILESBrc1ccc2ncnc(Sc3ccccn3)c2c1
InChIInChI=1S/C13H8BrN3S/c14-9-4-5-11-10(7-9)13(17-8-16-11)18-12-3-1-2-6-15-12/h1-8H
InChIKeyUCKZIRKCDQKUQX-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.94
Rot. Bonds2

About 6-bromo-4-pyridin-2-ylsulfanylquinazoline

6-bromo-4-pyridin-2-ylsulfanylquinazoline (PubChem CID 21002564) has the molecular formula C13H8BrN3S and a molecular weight of 318.20 g/mol. Its IUPAC name is 6-bromo-4-pyridin-2-ylsulfanylquinazoline.

Molecular Properties

Compound Name6-bromo-4-pyridin-2-ylsulfanylquinazoline
PubChem CID21002564
Molecular FormulaC13H8BrN3S
Molecular Weight318.20 g/mol
Exact Mass316.96
IUPAC Name6-bromo-4-pyridin-2-ylsulfanylquinazoline
SMILESBrc1ccc2ncnc(Sc3ccccn3)c2c1
InChIInChI=1S/C13H8BrN3S/c14-9-4-5-11-10(7-9)13(17-8-16-11)18-12-3-1-2-6-15-12/h1-8H
InChIKeyUCKZIRKCDQKUQX-UHFFFAOYSA-N
XLogP3.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline
CID 2808855
5-bromo-2-quinazolin-4-ylsulfanylaniline
CID 60893837
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
(6-bromoquinazolin-4-yl) N,N'-diamino-N-methylcarbamimidothioate
CID 142319905
1-(5-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanol
CID 82957654
3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol
CID 21002563
2-(4-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanamine
CID 63818147
6-bromo-4-chloroquinazoline;hydrochloride
CID 75529861
6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline
CID 4790054
4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline
CID 114047896
N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 133277817
6-fluoro-4-(2-fluorophenyl)sulfanylquinazoline
CID 133424999

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-pyridin-2-ylsulfanylquinazoline?
The IUPAC name of 6-bromo-4-pyridin-2-ylsulfanylquinazoline (CID 21002564) is 6-bromo-4-pyridin-2-ylsulfanylquinazoline.
What is the SMILES notation for 6-bromo-4-pyridin-2-ylsulfanylquinazoline?
The canonical SMILES for 6-bromo-4-pyridin-2-ylsulfanylquinazoline is Brc1ccc2ncnc(Sc3ccccn3)c2c1.
What is the InChIKey of 6-bromo-4-pyridin-2-ylsulfanylquinazoline?
The InChIKey is UCKZIRKCDQKUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3S/c14-9-4-5-11-10(7-9)13(17-8-16-11)18-12-3-1-2-6-15-12/h1-8H.
What are the key properties of 6-bromo-4-pyridin-2-ylsulfanylquinazoline?
6-bromo-4-pyridin-2-ylsulfanylquinazoline has a molecular weight of 318.20 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-pyridin-2-ylsulfanylquinazoline is sourced from PubChem (CID 21002564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).