4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine

C17H15ClN2S — CID 65413885

IUPAC4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(C3CCc4ccccc43)nc(Cl)c2c1C
InChIInChI=1S/C17H15ClN2S/c1-9-10(2)21-17-14(9)15(18)19-16(20-17)13-8-7-11-5-3-4-6-12(11)13/h3-6,13H,7-8H2,1-2H3
InChIKeyJXGXDJSMUKHRCK-UHFFFAOYSA-N
MW314.84 g/mol
LogP5.04
Rot. Bonds1

About 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine

4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 65413885) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID65413885
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(C3CCc4ccccc43)nc(Cl)c2c1C
InChIInChI=1S/C17H15ClN2S/c1-9-10(2)21-17-14(9)15(18)19-16(20-17)13-8-7-11-5-3-4-6-12(11)13/h3-6,13H,7-8H2,1-2H3
InChIKeyJXGXDJSMUKHRCK-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.84
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 65413885) is 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2nc(C3CCc4ccccc43)nc(Cl)c2c1C.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is JXGXDJSMUKHRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c1-9-10(2)21-17-14(9)15(18)19-16(20-17)13-8-7-11-5-3-4-6-12(11)13/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 314.84 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 65413885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).