5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione

C12H9N3O2 — CID 56624008

IUPAC5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cccc3cc[nH]c23)c(=O)[nH]1
InChIInChI=1S/C12H9N3O2/c16-11-9(6-14-12(17)15-11)8-3-1-2-7-4-5-13-10(7)8/h1-6,13H,(H2,14,15,16,17)
InChIKeyOZLBKKZIPITSIH-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.21
Rot. Bonds1

About 5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione

5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione (PubChem CID 56624008) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione
PubChem CID56624008
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cccc3cc[nH]c23)c(=O)[nH]1
InChIInChI=1S/C12H9N3O2/c16-11-9(6-14-12(17)15-11)8-3-1-2-7-4-5-13-10(7)8/h1-6,13H,(H2,14,15,16,17)
InChIKeyOZLBKKZIPITSIH-UHFFFAOYSA-N
XLogP1.21
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

7-[6-[6-(1H-indol-7-yl)-2-pyridinyl]-2-pyridinyl]-1H-indole
CID 145302463
5-(2,6-difluorophenyl)-1H-pyrimidine-2,4-dione
CID 53222285
5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione
CID 53222312
1H-cyclohepta[b]pyrrol-8-one
CID 55288176
7-(3-nitronaphthalen-2-yl)-1H-indole
CID 142729174
3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid
CID 117326348
5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
CID 56916433
4-naphthalen-1-yl-1,3-dihydroimidazol-2-one
CID 116879771
7-pyrimidin-5-yl-1H-indole
CID 155804260
7-(3-chlorophenyl)-1H-indole
CID 22049184
1H-indole-7-carboxylic acid;hydrochloride
CID 67635723
7-(3,4-difluorophenyl)-1H-indole
CID 154814930

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione (CID 56624008) is 5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cccc3cc[nH]c23)c(=O)[nH]1.
What is the InChIKey of 5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is OZLBKKZIPITSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-11-9(6-14-12(17)15-11)8-3-1-2-7-4-5-13-10(7)8/h1-6,13H,(H2,14,15,16,17).
What are the key properties of 5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione?
5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 227.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56624008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).