6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione

C18H17N3O4 — CID 882217

IUPAC6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C[C@H]2CCCO2)c(O)c1C=C1C=Nc2ccccc21
InChIInChI=1S/C18H17N3O4/c22-16-14(8-11-9-19-15-6-2-1-5-13(11)15)17(23)21(18(24)20-16)10-12-4-3-7-25-12/h1-2,5-6,8-9,12,23H,3-4,7,10H2,(H,20,22,24)/t12-/m1/s1
InChIKeySQBREJXYFHONFF-GFCCVEGCSA-N
MW339.35 g/mol
LogP1.68
Rot. Bonds3

About 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione

6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione (PubChem CID 882217) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
PubChem CID882217
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C[C@H]2CCCO2)c(O)c1C=C1C=Nc2ccccc21
InChIInChI=1S/C18H17N3O4/c22-16-14(8-11-9-19-15-6-2-1-5-13(11)15)17(23)21(18(24)20-16)10-12-4-3-7-25-12/h1-2,5-6,8-9,12,23H,3-4,7,10H2,(H,20,22,24)/t12-/m1/s1
InChIKeySQBREJXYFHONFF-GFCCVEGCSA-N
XLogP1.68
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 620473
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945
6-hydroxy-5-(indol-3-ylidenemethyl)-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 1360329
6-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 135630159
6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 1402835
1-(2-fluorophenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 1134749
3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one
CID 135432741
5-[(5-bromoindol-3-ylidene)methyl]-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-2-thione
CID 137065323
2-(3,4-dimethylphenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one
CID 135432683
1-(furan-2-ylmethyl)-6-hydroxy-5-[[(2R)-oxolan-2-yl]methyliminomethyl]pyrimidine-2,4-dione
CID 135895118
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-4-ol;dihydrochloride
CID 135712650

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione (CID 882217) is 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(C[C@H]2CCCO2)c(O)c1C=C1C=Nc2ccccc21.
What is the InChIKey of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is SQBREJXYFHONFF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-16-14(8-11-9-19-15-6-2-1-5-13(11)15)17(23)21(18(24)20-16)10-12-4-3-7-25-12/h1-2,5-6,8-9,12,23H,3-4,7,10H2,(H,20,22,24)/t12-/m1/s1.
What are the key properties of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione?
6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 339.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 882217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).