4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine

C12H4BrClF2N2OS — CID 107098065

IUPAC4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
SMILESFc1cc(Br)cc(Oc2nc(Cl)nc3sccc23)c1F
InChIInChI=1S/C12H4BrClF2N2OS/c13-5-3-7(15)9(16)8(4-5)19-10-6-1-2-20-11(6)18-12(14)17-10/h1-4H
InChIKeyYGXOFIJNYYKJKX-UHFFFAOYSA-N
MW377.60 g/mol
LogP5.18
Rot. Bonds2

About 4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine

4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine (PubChem CID 107098065) has the molecular formula C12H4BrClF2N2OS and a molecular weight of 377.60 g/mol. Its IUPAC name is 4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
PubChem CID107098065
Molecular FormulaC12H4BrClF2N2OS
Molecular Weight377.60 g/mol
Exact Mass375.89
IUPAC Name4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
SMILESFc1cc(Br)cc(Oc2nc(Cl)nc3sccc23)c1F
InChIInChI=1S/C12H4BrClF2N2OS/c13-5-3-7(15)9(16)8(4-5)19-10-6-1-2-20-11(6)18-12(14)17-10/h1-4H
InChIKeyYGXOFIJNYYKJKX-UHFFFAOYSA-N
XLogP5.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.60
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 103319903
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103320173
4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 103319776
2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 103320002
2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103319866
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516
4-(4-bromo-2-fluorophenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319978
2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole
CID 107099338
2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
CID 103320209
4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333492
4-(3-bromo-5-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333095

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine?
The IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine (CID 107098065) is 4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine is Fc1cc(Br)cc(Oc2nc(Cl)nc3sccc23)c1F.
What is the InChIKey of 4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine?
The InChIKey is YGXOFIJNYYKJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4BrClF2N2OS/c13-5-3-7(15)9(16)8(4-5)19-10-6-1-2-20-11(6)18-12(14)17-10/h1-4H.
What are the key properties of 4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine?
4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine has a molecular weight of 377.60 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 107098065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).