4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine

C20H15N3S — CID 2816831

IUPAC4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCc5ccccc54)ncnc3s2)cc1
InChIInChI=1S/C20H15N3S/c1-2-7-15(8-3-1)18-12-16-19(21-13-22-20(16)24-18)23-11-10-14-6-4-5-9-17(14)23/h1-9,12-13H,10-11H2
InChIKeyDLZWLDHRXXQQAB-UHFFFAOYSA-N
MW329.43 g/mol
LogP5.05
Rot. Bonds2

About 4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine

4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 2816831) has the molecular formula C20H15N3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine
PubChem CID2816831
Molecular FormulaC20H15N3S
Molecular Weight329.43 g/mol
Exact Mass329.10
IUPAC Name4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCc5ccccc54)ncnc3s2)cc1
InChIInChI=1S/C20H15N3S/c1-2-7-15(8-3-1)18-12-16-19(21-13-22-20(16)24-18)23-11-10-14-6-4-5-9-17(14)23/h1-9,12-13H,10-11H2
InChIKeyDLZWLDHRXXQQAB-UHFFFAOYSA-N
XLogP5.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine (CID 2816831) is 4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine is c1ccc(-c2cc3c(N4CCc5ccccc54)ncnc3s2)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is DLZWLDHRXXQQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3S/c1-2-7-15(8-3-1)18-12-16-19(21-13-22-20(16)24-18)23-11-10-14-6-4-5-9-17(14)23/h1-9,12-13H,10-11H2.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine?
4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 329.43 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2816831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).