6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione

C18H13N3O2 — CID 102126486

IUPAC6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(-c2c[nH]c3ccccc23)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H13N3O2/c22-17-15(11-6-2-1-3-7-11)16(20-18(23)21-17)13-10-19-14-9-5-4-8-12(13)14/h1-10,19H,(H2,20,21,22,23)
InChIKeyIZZZHUTVWIUALU-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.88
Rot. Bonds2

About 6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione

6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 102126486) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione
PubChem CID102126486
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(-c2c[nH]c3ccccc23)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H13N3O2/c22-17-15(11-6-2-1-3-7-11)16(20-18(23)21-17)13-10-19-14-9-5-4-8-12(13)14/h1-10,19H,(H2,20,21,22,23)
InChIKeyIZZZHUTVWIUALU-UHFFFAOYSA-N
XLogP2.88
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione (CID 102126486) is 6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione is O=c1[nH]c(-c2c[nH]c3ccccc23)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is IZZZHUTVWIUALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-17-15(11-6-2-1-3-7-11)16(20-18(23)21-17)13-10-19-14-9-5-4-8-12(13)14/h1-10,19H,(H2,20,21,22,23).
What are the key properties of 6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione?
6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-3-yl)-5-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 102126486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).