2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine

C12H7BrCl2N2S — CID 83190473

IUPAC2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1ccc(Br)c(-c2nc(Cl)c3c(n2)CSC3)c1
InChIInChI=1S/C12H7BrCl2N2S/c13-9-2-1-6(14)3-7(9)12-16-10-5-18-4-8(10)11(15)17-12/h1-3H,4-5H2
InChIKeyIWAKYYVEEITWKX-UHFFFAOYSA-N
MW362.08 g/mol
LogP4.96
Rot. Bonds1

About 2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine

2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 83190473) has the molecular formula C12H7BrCl2N2S and a molecular weight of 362.08 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID83190473
Molecular FormulaC12H7BrCl2N2S
Molecular Weight362.08 g/mol
Exact Mass359.89
IUPAC Name2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1ccc(Br)c(-c2nc(Cl)c3c(n2)CSC3)c1
InChIInChI=1S/C12H7BrCl2N2S/c13-9-2-1-6(14)3-7(9)12-16-10-5-18-4-8(10)11(15)17-12/h1-3H,4-5H2
InChIKeyIWAKYYVEEITWKX-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.08
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine (CID 83190473) is 2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine is Clc1ccc(Br)c(-c2nc(Cl)c3c(n2)CSC3)c1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is IWAKYYVEEITWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2S/c13-9-2-1-6(14)3-7(9)12-16-10-5-18-4-8(10)11(15)17-12/h1-3H,4-5H2.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine?
2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 362.08 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 83190473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).