4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

C13H10ClFN4S — CID 107531844

IUPAC4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(Nc3cc(F)ccc3Cl)nc(N)nc2s1
InChIInChI=1S/C13H10ClFN4S/c1-6-4-8-11(18-13(16)19-12(8)20-6)17-10-5-7(15)2-3-9(10)14/h2-5H,1H3,(H3,16,17,18,19)
InChIKeyHAPMNSXHRMXEGH-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.12
Rot. Bonds2

About 4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 107531844) has the molecular formula C13H10ClFN4S and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID107531844
Molecular FormulaC13H10ClFN4S
Molecular Weight308.77 g/mol
Exact Mass308.03
IUPAC Name4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(Nc3cc(F)ccc3Cl)nc(N)nc2s1
InChIInChI=1S/C13H10ClFN4S/c1-6-4-8-11(18-13(16)19-12(8)20-6)17-10-5-7(15)2-3-9(10)14/h2-5H,1H3,(H3,16,17,18,19)
InChIKeyHAPMNSXHRMXEGH-UHFFFAOYSA-N
XLogP4.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[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-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107604772
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334287
4-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323548
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334873
4-N-[1-(4-fluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326091
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324814
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964948
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 107531890
4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323311

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 107531844) is 4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(Nc3cc(F)ccc3Cl)nc(N)nc2s1.
What is the InChIKey of 4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HAPMNSXHRMXEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4S/c1-6-4-8-11(18-13(16)19-12(8)20-6)17-10-5-7(15)2-3-9(10)14/h2-5H,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 308.77 g/mol, XLogP of 4.12, 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-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 107531844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).