7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H9BrN4O2S — CID 55321568

IUPAC7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(COc2ncnc3ccc(Br)cc23)nc2sccn12
InChIInChI=1S/C15H9BrN4O2S/c16-9-1-2-12-11(5-9)14(18-8-17-12)22-7-10-6-13(21)20-3-4-23-15(20)19-10/h1-6,8H,7H2
InChIKeyOEVJYDWJJGNZJL-UHFFFAOYSA-N
MW389.23 g/mol
LogP3.04
Rot. Bonds3

About 7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 55321568) has the molecular formula C15H9BrN4O2S and a molecular weight of 389.23 g/mol. Its IUPAC name is 7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID55321568
Molecular FormulaC15H9BrN4O2S
Molecular Weight389.23 g/mol
Exact Mass387.96
IUPAC Name7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(COc2ncnc3ccc(Br)cc23)nc2sccn12
InChIInChI=1S/C15H9BrN4O2S/c16-9-1-2-12-11(5-9)14(18-8-17-12)22-7-10-6-13(21)20-3-4-23-15(20)19-10/h1-6,8H,7H2
InChIKeyOEVJYDWJJGNZJL-UHFFFAOYSA-N
XLogP3.04
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 55321568) is 7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(COc2ncnc3ccc(Br)cc23)nc2sccn12.
What is the InChIKey of 7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OEVJYDWJJGNZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4O2S/c16-9-1-2-12-11(5-9)14(18-8-17-12)22-7-10-6-13(21)20-3-4-23-15(20)19-10/h1-6,8H,7H2.
What are the key properties of 7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 389.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 55321568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).