6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate

C12H9N3O5 — CID 135891515

IUPAC6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate
SMILESO.O=C1N=c2ccccc2=C1c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H7N3O4.H2O/c16-9-7(5-3-1-2-4-6(5)13-9)8-10(17)14-12(19)15-11(8)18;/h1-4H,(H3,14,15,17,18,19);1H2
InChIKeyDNQPULPQMHNDNL-UHFFFAOYSA-N
MW275.22 g/mol
LogP-2.70
Rot. Bonds1

About 6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate

6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate (PubChem CID 135891515) has the molecular formula C12H9N3O5 and a molecular weight of 275.22 g/mol. Its IUPAC name is 6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate.

Molecular Properties

Compound Name6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate
PubChem CID135891515
Molecular FormulaC12H9N3O5
Molecular Weight275.22 g/mol
Exact Mass275.05
IUPAC Name6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate
SMILESO.O=C1N=c2ccccc2=C1c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H7N3O4.H2O/c16-9-7(5-3-1-2-4-6(5)13-9)8-10(17)14-12(19)15-11(8)18;/h1-4H,(H3,14,15,17,18,19);1H2
InChIKeyDNQPULPQMHNDNL-UHFFFAOYSA-N
XLogP-2.70
TPSA146.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 5-2.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate?
The IUPAC name of 6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate (CID 135891515) is 6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate.
What is the SMILES notation for 6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate?
The canonical SMILES for 6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate is O.O=C1N=c2ccccc2=C1c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate?
The InChIKey is DNQPULPQMHNDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O4.H2O/c16-9-7(5-3-1-2-4-6(5)13-9)8-10(17)14-12(19)15-11(8)18;/h1-4H,(H3,14,15,17,18,19);1H2.
What are the key properties of 6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate?
6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate has a molecular weight of 275.22 g/mol, XLogP of -2.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate is sourced from PubChem (CID 135891515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).