2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine

C13H7BrCl2N2OS — CID 62187778

IUPAC2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine
SMILESClc1ccc(OCc2nc(Cl)c3ccsc3n2)c(Br)c1
InChIInChI=1S/C13H7BrCl2N2OS/c14-9-5-7(15)1-2-10(9)19-6-11-17-12(16)8-3-4-20-13(8)18-11/h1-5H,6H2
InChIKeyJXUTWXJXIUPQBL-UHFFFAOYSA-N
MW390.09 g/mol
LogP5.34
Rot. Bonds3

About 2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine

2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine (PubChem CID 62187778) has the molecular formula C13H7BrCl2N2OS and a molecular weight of 390.09 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine
PubChem CID62187778
Molecular FormulaC13H7BrCl2N2OS
Molecular Weight390.09 g/mol
Exact Mass387.88
IUPAC Name2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine
SMILESClc1ccc(OCc2nc(Cl)c3ccsc3n2)c(Br)c1
InChIInChI=1S/C13H7BrCl2N2OS/c14-9-5-7(15)1-2-10(9)19-6-11-17-12(16)8-3-4-20-13(8)18-11/h1-5H,6H2
InChIKeyJXUTWXJXIUPQBL-UHFFFAOYSA-N
XLogP5.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.09
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62187776
4-chloro-2-[(2,4,5-trichlorophenoxy)methyl]thieno[2,3-d]pyrimidine
CID 63480590
2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62194594
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 63479626
2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
CID 119088627
2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193520
2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193500
2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62193620
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8533692
4-chloro-2-(octoxymethyl)thieno[2,3-d]pyrimidine
CID 62188659

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine?
The IUPAC name of 2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine (CID 62187778) is 2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine is Clc1ccc(OCc2nc(Cl)c3ccsc3n2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine?
The InChIKey is JXUTWXJXIUPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2OS/c14-9-5-7(15)1-2-10(9)19-6-11-17-12(16)8-3-4-20-13(8)18-11/h1-5H,6H2.
What are the key properties of 2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine?
2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine has a molecular weight of 390.09 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 62187778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).