2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole

C19H17N3S — CID 66494093

IUPAC2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1nccc(/C=C/c2cccs2)n1
InChIInChI=1S/C19H17N3S/c1-14-13-15-5-2-3-7-18(15)22(14)19-20-11-10-16(21-19)8-9-17-6-4-12-23-17/h2-12,14H,13H2,1H3/b9-8+
InChIKeyXIWRKRANTUPHHG-CMDGGOBGSA-N
MW319.43 g/mol
LogP4.79
Rot. Bonds3

About 2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole

2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole (PubChem CID 66494093) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole
PubChem CID66494093
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1nccc(/C=C/c2cccs2)n1
InChIInChI=1S/C19H17N3S/c1-14-13-15-5-2-3-7-18(15)22(14)19-20-11-10-16(21-19)8-9-17-6-4-12-23-17/h2-12,14H,13H2,1H3/b9-8+
InChIKeyXIWRKRANTUPHHG-CMDGGOBGSA-N
XLogP4.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole (CID 66494093) is 2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole is CC1Cc2ccccc2N1c1nccc(/C=C/c2cccs2)n1.
What is the InChIKey of 2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole?
The InChIKey is XIWRKRANTUPHHG-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H17N3S/c1-14-13-15-5-2-3-7-18(15)22(14)19-20-11-10-16(21-19)8-9-17-6-4-12-23-17/h2-12,14H,13H2,1H3/b9-8+.
What are the key properties of 2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole?
2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole has a molecular weight of 319.43 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole is sourced from PubChem (CID 66494093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).