5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione

C22H23N3O5 — CID 1395649

IUPAC5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCOc1cc(C/N=C/c2c(O)n(-c3cc(C)cc(C)c3)c(=O)[nH]c2=O)cc(OC)c1
InChIInChI=1S/C22H23N3O5/c1-13-5-14(2)7-16(6-13)25-21(27)19(20(26)24-22(25)28)12-23-11-15-8-17(29-3)10-18(9-15)30-4/h5-10,12,27H,11H2,1-4H3,(H,24,26,28)/b23-12+
InChIKeyGFNKBCDXAYGNMF-FSJBWODESA-N
MW409.44 g/mol
LogP2.48
Rot. Bonds6

About 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione

5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 1395649) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID1395649
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCOc1cc(C/N=C/c2c(O)n(-c3cc(C)cc(C)c3)c(=O)[nH]c2=O)cc(OC)c1
InChIInChI=1S/C22H23N3O5/c1-13-5-14(2)7-16(6-13)25-21(27)19(20(26)24-22(25)28)12-23-11-15-8-17(29-3)10-18(9-15)30-4/h5-10,12,27H,11H2,1-4H3,(H,24,26,28)/b23-12+
InChIKeyGFNKBCDXAYGNMF-FSJBWODESA-N
XLogP2.48
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione (CID 1395649) is 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione is COc1cc(C/N=C/c2c(O)n(-c3cc(C)cc(C)c3)c(=O)[nH]c2=O)cc(OC)c1.
What is the InChIKey of 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is GFNKBCDXAYGNMF-FSJBWODESA-N. The full InChI is InChI=1S/C22H23N3O5/c1-13-5-14(2)7-16(6-13)25-21(27)19(20(26)24-22(25)28)12-23-11-15-8-17(29-3)10-18(9-15)30-4/h5-10,12,27H,11H2,1-4H3,(H,24,26,28)/b23-12+.
What are the key properties of 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione?
5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 409.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxyphenyl)methyliminomethyl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1395649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).