4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

C12H8ClFN4S — CID 103330623

IUPAC4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2c(F)cccc2Cl)c2ccsc2n1
InChIInChI=1S/C12H8ClFN4S/c13-7-2-1-3-8(14)9(7)16-10-6-4-5-19-11(6)18-12(15)17-10/h1-5H,(H3,15,16,17,18)
InChIKeyOPEUFFNLTYIIPO-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.81
Rot. Bonds2

About 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330623) has the molecular formula C12H8ClFN4S and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330623
Molecular FormulaC12H8ClFN4S
Molecular Weight294.74 g/mol
Exact Mass294.01
IUPAC Name4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2c(F)cccc2Cl)c2ccsc2n1
InChIInChI=1S/C12H8ClFN4S/c13-7-2-1-3-8(14)9(7)16-10-6-4-5-19-11(6)18-12(15)17-10/h1-5H,(H3,15,16,17,18)
InChIKeyOPEUFFNLTYIIPO-UHFFFAOYSA-N
XLogP3.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine 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-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103481983
4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323324
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile
CID 103329290
4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333492
4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323343
4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323357
3-bromo-5-chloro-N-(2-chloro-6-fluorophenyl)pyridin-2-amine
CID 114837428

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330623) is 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine is Nc1nc(Nc2c(F)cccc2Cl)c2ccsc2n1.
What is the InChIKey of 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OPEUFFNLTYIIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4S/c13-7-2-1-3-8(14)9(7)16-10-6-4-5-19-11(6)18-12(15)17-10/h1-5H,(H3,15,16,17,18).
What are the key properties of 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 294.74 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).