5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione

C23H26N4O5 — CID 3751094

IUPAC5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(/N=C/c2c(O)n(-c3cc(OC)ccc3OC)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C23H26N4O5/c1-5-26(6-2)16-9-7-15(8-10-16)24-14-18-21(28)25-23(30)27(22(18)29)19-13-17(31-3)11-12-20(19)32-4/h7-14,29H,5-6H2,1-4H3,(H,25,28,30)/b24-14+
InChIKeyHOVCGSPGLCOMBX-ZVHZXABRSA-N
MW438.48 g/mol
LogP2.85
Rot. Bonds8

About 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione

5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 3751094) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID3751094
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(/N=C/c2c(O)n(-c3cc(OC)ccc3OC)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C23H26N4O5/c1-5-26(6-2)16-9-7-15(8-10-16)24-14-18-21(28)25-23(30)27(22(18)29)19-13-17(31-3)11-12-20(19)32-4/h7-14,29H,5-6H2,1-4H3,(H,25,28,30)/b24-14+
InChIKeyHOVCGSPGLCOMBX-ZVHZXABRSA-N
XLogP2.85
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 3812167
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CID 4365992
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CID 16030477
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CID 3248071
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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione (CID 3751094) is 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione is CCN(CC)c1ccc(/N=C/c2c(O)n(-c3cc(OC)ccc3OC)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is HOVCGSPGLCOMBX-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-5-26(6-2)16-9-7-15(8-10-16)24-14-18-21(28)25-23(30)27(22(18)29)19-13-17(31-3)11-12-20(19)32-4/h7-14,29H,5-6H2,1-4H3,(H,25,28,30)/b24-14+.
What are the key properties of 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 438.48 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3751094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).