3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol

C11H11BrN2O2S — CID 21002563

IUPAC3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol
SMILESOCC(O)CSc1ncnc2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O2S/c12-7-1-2-10-9(3-7)11(14-6-13-10)17-5-8(16)4-15/h1-3,6,8,15-16H,4-5H2
InChIKeyIIYBODBWYFRXJZ-UHFFFAOYSA-N
MW315.19 g/mol
LogP1.84
Rot. Bonds4

About 3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol

3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol (PubChem CID 21002563) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol
PubChem CID21002563
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol
SMILESOCC(O)CSc1ncnc2ccc(Br)cc12
InChIInChI=1S/C11H11BrN2O2S/c12-7-1-2-10-9(3-7)11(14-6-13-10)17-5-8(16)4-15/h1-3,6,8,15-16H,4-5H2
InChIKeyIIYBODBWYFRXJZ-UHFFFAOYSA-N
XLogP1.84
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1-aminoethyl)-4-bromophenyl]sulfanylpropane-1,2-diol
CID 82969710
3-[4-bromo-2-(1-hydroxyethyl)phenyl]sulfanylpropane-1,2-diol
CID 82974086
3-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 79718915
2-amino-2-(6-bromoquinolin-4-yl)ethanol
CID 82667235
6-bromo-4-pyridin-2-ylsulfanylquinazoline
CID 21002564
(4E,5Z)-4,5-bis[(6-bromoquinazolin-4-yl)hydrazinylidene]pentane-1,2,3-triol
CID 54611941
3-(5-bromopyrimidin-2-yl)sulfanylpropane-1,2-diol
CID 71862898
(6-bromoquinazolin-4-yl)-(1-carboxypropyl)azanium
CID 3957071
(6-bromoquinazolin-4-yl) N,N'-diamino-N-methylcarbamimidothioate
CID 142319905
3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 103880320
6-bromo-4-chloroquinazoline;hydrochloride
CID 75529861
3-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894376

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol (CID 21002563) is 3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol is OCC(O)CSc1ncnc2ccc(Br)cc12.
What is the InChIKey of 3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol?
The InChIKey is IIYBODBWYFRXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c12-7-1-2-10-9(3-7)11(14-6-13-10)17-5-8(16)4-15/h1-3,6,8,15-16H,4-5H2.
What are the key properties of 3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol?
3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol has a molecular weight of 315.19 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromoquinazolin-4-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 21002563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).