1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione

C20H15N3O3 — CID 135452102

IUPAC1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C20H15N3O3/c24-18-16(10-14-11-21-17-9-5-4-8-15(14)17)19(25)23(20(26)22-18)12-13-6-2-1-3-7-13/h1-11,25H,12H2,(H,22,24,26)/b14-10+
InChIKeyBKPDZZMNBPUQTO-GXDHUFHOSA-N
MW345.36 g/mol
LogP2.55
Rot. Bonds3

About 1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione

1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione (PubChem CID 135452102) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
PubChem CID135452102
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1/C=C1\C=Nc2ccccc21
InChIInChI=1S/C20H15N3O3/c24-18-16(10-14-11-21-17-9-5-4-8-15(14)17)19(25)23(20(26)22-18)12-13-6-2-1-3-7-13/h1-11,25H,12H2,(H,22,24,26)/b14-10+
InChIKeyBKPDZZMNBPUQTO-GXDHUFHOSA-N
XLogP2.55
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione (CID 135452102) is 1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)c(O)c1/C=C1\C=Nc2ccccc21.
What is the InChIKey of 1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
The InChIKey is BKPDZZMNBPUQTO-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-18-16(10-14-11-21-17-9-5-4-8-15(14)17)19(25)23(20(26)22-18)12-13-6-2-1-3-7-13/h1-11,25H,12H2,(H,22,24,26)/b14-10+.
What are the key properties of 1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione?
1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione has a molecular weight of 345.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135452102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).