2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine

C12H7Cl2N3S — CID 82066220

IUPAC2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C12H7Cl2N3S/c13-7-2-1-3-8(6-7)15-10-9-4-5-18-11(9)17-12(14)16-10/h1-6H,(H,15,16,17)
InChIKeyHZVWNHNSYJCXHR-UHFFFAOYSA-N
MW296.18 g/mol
LogP4.74
Rot. Bonds2

About 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 82066220) has the molecular formula C12H7Cl2N3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID82066220
Molecular FormulaC12H7Cl2N3S
Molecular Weight296.18 g/mol
Exact Mass294.97
IUPAC Name2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C12H7Cl2N3S/c13-7-2-1-3-8(6-7)15-10-9-4-5-18-11(9)17-12(14)16-10/h1-6H,(H,15,16,17)
InChIKeyHZVWNHNSYJCXHR-UHFFFAOYSA-N
XLogP4.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine 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

2-chloro-N-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066169
2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320380
methyl 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 93214104
2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107576856
4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82066162
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid
CID 93214091
2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214079
2-chloro-N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066171
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 103322284
4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 82066220) is 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine is Clc1cccc(Nc2nc(Cl)nc3sccc23)c1.
What is the InChIKey of 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HZVWNHNSYJCXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3S/c13-7-2-1-3-8(6-7)15-10-9-4-5-18-11(9)17-12(14)16-10/h1-6H,(H,15,16,17).
What are the key properties of 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 296.18 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82066220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).