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

C13H10ClFN4S — CID 103323136

IUPAC4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(F)cc2Cl)c2ccsc2n1
InChIInChI=1S/C13H10ClFN4S/c1-16-13-18-11(8-4-5-20-12(8)19-13)17-10-3-2-7(15)6-9(10)14/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyMWUKRNNXUWPHDS-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.27
Rot. Bonds3

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

4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323136) has the molecular formula C13H10ClFN4S and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323136
Molecular FormulaC13H10ClFN4S
Molecular Weight308.77 g/mol
Exact Mass308.03
IUPAC Name4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(F)cc2Cl)c2ccsc2n1
InChIInChI=1S/C13H10ClFN4S/c1-16-13-18-11(8-4-5-20-12(8)19-13)17-10-3-2-7(15)6-9(10)14/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyMWUKRNNXUWPHDS-UHFFFAOYSA-N
XLogP4.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-chloro-5-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531811
4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323312
2-N-methyl-4-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323372
4-N-(4-bromo-3-chlorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107617792
2-chloro-N-(4-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320393
4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323324
4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80756294
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
5-fluoro-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 103335500
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
4-(2,5-difluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334423
2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107576856

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103323136) is 4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2ccc(F)cc2Cl)c2ccsc2n1.
What is the InChIKey of 4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MWUKRNNXUWPHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4S/c1-16-13-18-11(8-4-5-20-12(8)19-13)17-10-3-2-7(15)6-9(10)14/h2-6H,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 308.77 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).