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

C13H11ClN4S — CID 103323332

IUPAC4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc3sccc23)c(Cl)c1
InChIInChI=1S/C13H11ClN4S/c1-7-2-3-10(9(14)6-7)16-11-8-4-5-19-12(8)18-13(15)17-11/h2-6H,1H3,(H3,15,16,17,18)
InChIKeyPDYJDQCHJFQPMR-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.98
Rot. Bonds2

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

4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323332) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323332
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc3sccc23)c(Cl)c1
InChIInChI=1S/C13H11ClN4S/c1-7-2-3-10(9(14)6-7)16-11-8-4-5-19-12(8)18-13(15)17-11/h2-6H,1H3,(H3,15,16,17,18)
InChIKeyPDYJDQCHJFQPMR-UHFFFAOYSA-N
XLogP3.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
4-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323534
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103481983
4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323394
4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323136
4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 166774034
4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107604772
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330623
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile
CID 103329290

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103323332) is 4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is Cc1ccc(Nc2nc(N)nc3sccc23)c(Cl)c1.
What is the InChIKey of 4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is PDYJDQCHJFQPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-7-2-3-10(9(14)6-7)16-11-8-4-5-19-12(8)18-13(15)17-11/h2-6H,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.78 g/mol, XLogP of 3.98, 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-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).