2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine

C7H4BrClN2S — CID 119088627

IUPAC2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
SMILESClc1nc(CBr)nc2sccc12
InChIInChI=1S/C7H4BrClN2S/c8-3-5-10-6(9)4-1-2-12-7(4)11-5/h1-2H,3H2
InChIKeyNOLDFGILVPHIBB-UHFFFAOYSA-N
MW263.55 g/mol
LogP3.24
Rot. Bonds1

About 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine

2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine (PubChem CID 119088627) has the molecular formula C7H4BrClN2S and a molecular weight of 263.55 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
PubChem CID119088627
Molecular FormulaC7H4BrClN2S
Molecular Weight263.55 g/mol
Exact Mass261.90
IUPAC Name2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
SMILESClc1nc(CBr)nc2sccc12
InChIInChI=1S/C7H4BrClN2S/c8-3-5-10-6(9)4-1-2-12-7(4)11-5/h1-2H,3H2
InChIKeyNOLDFGILVPHIBB-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.55
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 55119649
1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
CID 62187422
4-chloro-2-[(2,4,5-trichlorophenoxy)methyl]thieno[2,3-d]pyrimidine
CID 63480590
4-chloro-2-(cyclohexylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 62188998
4-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 79187954
2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine
CID 62187778
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62187944
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine
CID 62188469
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine
CID 62189688
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
4-chloro-2-[(4,5-dimethylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 62349675
4-chloro-2-(octoxymethyl)thieno[2,3-d]pyrimidine
CID 62188659

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine?
The IUPAC name of 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine (CID 119088627) is 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine is Clc1nc(CBr)nc2sccc12.
What is the InChIKey of 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine?
The InChIKey is NOLDFGILVPHIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2S/c8-3-5-10-6(9)4-1-2-12-7(4)11-5/h1-2H,3H2.
What are the key properties of 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine?
2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine has a molecular weight of 263.55 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 119088627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).