2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine

C10H7ClN4S2 — CID 107780796

IUPAC2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Sc3ncc[nH]3)nc(Cl)nc2s1
InChIInChI=1S/C10H7ClN4S2/c1-5-4-6-7(16-5)14-9(11)15-8(6)17-10-12-2-3-13-10/h2-4H,1H3,(H,12,13)
InChIKeyPCDCTEUTPPAIFJ-UHFFFAOYSA-N
MW282.78 g/mol
LogP3.53
Rot. Bonds2

About 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine

2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 107780796) has the molecular formula C10H7ClN4S2 and a molecular weight of 282.78 g/mol. Its IUPAC name is 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID107780796
Molecular FormulaC10H7ClN4S2
Molecular Weight282.78 g/mol
Exact Mass281.98
IUPAC Name2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Sc3ncc[nH]3)nc(Cl)nc2s1
InChIInChI=1S/C10H7ClN4S2/c1-5-4-6-7(16-5)14-9(11)15-8(6)17-10-12-2-3-13-10/h2-4H,1H3,(H,12,13)
InChIKeyPCDCTEUTPPAIFJ-UHFFFAOYSA-N
XLogP3.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine (CID 107780796) is 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Sc3ncc[nH]3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is PCDCTEUTPPAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S2/c1-5-4-6-7(16-5)14-9(11)15-8(6)17-10-12-2-3-13-10/h2-4H,1H3,(H,12,13).
What are the key properties of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine?
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 282.78 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 107780796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).