6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione

C17H19N3O5 — CID 135401406

IUPAC6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(CC3CCCO3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H19N3O5/c1-24-12-6-4-11(5-7-12)18-9-14-15(21)19-17(23)20(16(14)22)10-13-3-2-8-25-13/h4-7,9,13,22H,2-3,8,10H2,1H3,(H,19,21,23)/b18-9+
InChIKeyJSMYQELDFSMMJQ-GIJQJNRQSA-N
MW345.36 g/mol
LogP1.18
Rot. Bonds5

About 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione

6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 135401406) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID135401406
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(CC3CCCO3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H19N3O5/c1-24-12-6-4-11(5-7-12)18-9-14-15(21)19-17(23)20(16(14)22)10-13-3-2-8-25-13/h4-7,9,13,22H,2-3,8,10H2,1H3,(H,19,21,23)/b18-9+
InChIKeyJSMYQELDFSMMJQ-GIJQJNRQSA-N
XLogP1.18
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione (CID 135401406) is 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione is COc1ccc(/N=C/c2c(O)n(CC3CCCO3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is JSMYQELDFSMMJQ-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-24-12-6-4-11(5-7-12)18-9-14-15(21)19-17(23)20(16(14)22)10-13-3-2-8-25-13/h4-7,9,13,22H,2-3,8,10H2,1H3,(H,19,21,23)/b18-9+.
What are the key properties of 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione?
6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 345.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(oxolan-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 135401406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).