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

C20H15N3O4 — CID 135420646

IUPAC6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=C3\C=Nc4ccccc43)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H15N3O4/c1-27-14-8-6-13(7-9-14)23-19(25)16(18(24)22-20(23)26)10-12-11-21-17-5-3-2-4-15(12)17/h2-11,25H,1H3,(H,22,24,26)/b12-10+
InChIKeyOKLQCZBOAHZABU-ZRDIBKRKSA-N
MW361.36 g/mol
LogP2.50
Rot. Bonds3

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

6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 135420646) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID135420646
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=C3\C=Nc4ccccc43)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H15N3O4/c1-27-14-8-6-13(7-9-14)23-19(25)16(18(24)22-20(23)26)10-12-11-21-17-5-3-2-4-15(12)17/h2-11,25H,1H3,(H,22,24,26)/b12-10+
InChIKeyOKLQCZBOAHZABU-ZRDIBKRKSA-N
XLogP2.50
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 135420646) is 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(/C=C3\C=Nc4ccccc43)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is OKLQCZBOAHZABU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-27-14-8-6-13(7-9-14)23-19(25)16(18(24)22-20(23)26)10-12-11-21-17-5-3-2-4-15(12)17/h2-11,25H,1H3,(H,22,24,26)/b12-10+.
What are the key properties of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 361.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135420646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).