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

C13H10ClIN4S — CID 107604772

IUPAC4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(Nc3ccc(I)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C13H10ClIN4S/c1-6-4-8-11(18-13(16)19-12(8)20-6)17-10-3-2-7(15)5-9(10)14/h2-5H,1H3,(H3,16,17,18,19)
InChIKeyTXAPCXGHKNDMSP-UHFFFAOYSA-N
MW416.68 g/mol
LogP4.58
Rot. Bonds2

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

4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 107604772) has the molecular formula C13H10ClIN4S and a molecular weight of 416.68 g/mol. Its IUPAC name is 4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID107604772
Molecular FormulaC13H10ClIN4S
Molecular Weight416.68 g/mol
Exact Mass415.94
IUPAC Name4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(Nc3ccc(I)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C13H10ClIN4S/c1-6-4-8-11(18-13(16)19-12(8)20-6)17-10-3-2-7(15)5-9(10)14/h2-5H,1H3,(H3,16,17,18,19)
InChIKeyTXAPCXGHKNDMSP-UHFFFAOYSA-N
XLogP4.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.68
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531844
4-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323548
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 107809560
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334287
4-N-(3-fluoro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324814
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine
CID 107606139

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 107604772) is 4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(Nc3ccc(I)cc3Cl)nc(N)nc2s1.
What is the InChIKey of 4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is TXAPCXGHKNDMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN4S/c1-6-4-8-11(18-13(16)19-12(8)20-6)17-10-3-2-7(15)5-9(10)14/h2-5H,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 416.68 g/mol, XLogP of 4.58, 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-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 107604772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).