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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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).