5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one

C6H4BrN3OS — CID 82384756

IUPAC5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one
SMILESNc1c(Br)sc2nc[nH]c(=O)c12
InChIInChI=1S/C6H4BrN3OS/c7-4-3(8)2-5(11)9-1-10-6(2)12-4/h1H,8H2,(H,9,10,11)
InChIKeyYVNYSJZDUJKFQC-UHFFFAOYSA-N
MW246.09 g/mol
LogP1.33
Rot. Bonds

About 5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one

5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 82384756) has the molecular formula C6H4BrN3OS and a molecular weight of 246.09 g/mol. Its IUPAC name is 5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID82384756
Molecular FormulaC6H4BrN3OS
Molecular Weight246.09 g/mol
Exact Mass244.93
IUPAC Name5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one
SMILESNc1c(Br)sc2nc[nH]c(=O)c12
InChIInChI=1S/C6H4BrN3OS/c7-4-3(8)2-5(11)9-1-10-6(2)12-4/h1H,8H2,(H,9,10,11)
InChIKeyYVNYSJZDUJKFQC-UHFFFAOYSA-N
XLogP1.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 135459391
6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 39732424
6-ethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 23330414
6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 1186407
7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 67498830
5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride
CID 86665666
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
7-amino-5-bromo-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135542052
8-thia-4,6-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene-3,10-dione
CID 125490792
5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 82097099
5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110167626
5-amino-6-methyl-3H-quinazolin-4-one
CID 135703158

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one (CID 82384756) is 5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one is Nc1c(Br)sc2nc[nH]c(=O)c12.
What is the InChIKey of 5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YVNYSJZDUJKFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3OS/c7-4-3(8)2-5(11)9-1-10-6(2)12-4/h1H,8H2,(H,9,10,11).
What are the key properties of 5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one?
5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 246.09 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 82384756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).