6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione

C18H15N3O2 — CID 3237536

IUPAC6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17-12-16(20-11-10-13-6-4-5-9-15(13)20)19-18(23)21(17)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,23)
InChIKeyAADSRSCSJBIQMT-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.22
Rot. Bonds2

About 6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione

6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 3237536) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione
PubChem CID3237536
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17-12-16(20-11-10-13-6-4-5-9-15(13)20)19-18(23)21(17)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,23)
InChIKeyAADSRSCSJBIQMT-UHFFFAOYSA-N
XLogP2.22
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione (CID 3237536) is 6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione is O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccccc1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is AADSRSCSJBIQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-12-16(20-11-10-13-6-4-5-9-15(13)20)19-18(23)21(17)14-7-2-1-3-8-14/h1-9,12H,10-11H2,(H,19,23).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione?
6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 305.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-3-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3237536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).