6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione

C19H13N3O3 — CID 135884662

IUPAC6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=C2\C(c3ccccc3)=Nc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C19H13N3O3/c23-17-14(18(24)22-19(25)21-17)10-13-12-8-4-5-9-15(12)20-16(13)11-6-2-1-3-7-11/h1-10H,(H3,21,22,23,24,25)/b13-10-
InChIKeyKBJKNOWFQVLAIL-RAXLEYEMSA-N
MW331.33 g/mol
LogP2.44
Rot. Bonds2

About 6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 135884662) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione
PubChem CID135884662
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=C2\C(c3ccccc3)=Nc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C19H13N3O3/c23-17-14(18(24)22-19(25)21-17)10-13-12-8-4-5-9-15(12)20-16(13)11-6-2-1-3-7-11/h1-10H,(H3,21,22,23,24,25)/b13-10-
InChIKeyKBJKNOWFQVLAIL-RAXLEYEMSA-N
XLogP2.44
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(2-phenylphenyl)pyrimidine-2,4-dione
CID 136152923
(5E)-1-(3-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135458290
5-((1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 135443018
(5Z)-1-butyl-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135421582
1-methyl-5-[(2-methyl-1H-indol-3-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 135656248
(5E)-1-benzyl-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135452102
5-(3-Indolylmethylene)barbituric acid
CID 135400591
6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione
CID 260653
(5E)-1-(2-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135451179
1-(4-ethylphenyl)-5-(1H-indol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 135478291

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione (CID 135884662) is 6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=C2\C(c3ccccc3)=Nc3ccccc32)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KBJKNOWFQVLAIL-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-17-14(18(24)22-19(25)21-17)10-13-12-8-4-5-9-15(12)20-16(13)11-6-2-1-3-7-11/h1-10H,(H3,21,22,23,24,25)/b13-10-.
What are the key properties of 6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 331.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135884662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).