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

C22H24N4O4 — CID 3828328

IUPAC5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(/N=C/c2c(O)n(-c3ccc(OC)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O4/c1-4-25(5-2)16-8-6-15(7-9-16)23-14-19-20(27)24-22(29)26(21(19)28)17-10-12-18(30-3)13-11-17/h6-14,28H,4-5H2,1-3H3,(H,24,27,29)/b23-14+
InChIKeyMFBAZQWKAFGHRE-OEAKJJBVSA-N
MW408.46 g/mol
LogP2.84
Rot. Bonds7

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

5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 3828328) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID3828328
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(/N=C/c2c(O)n(-c3ccc(OC)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O4/c1-4-25(5-2)16-8-6-15(7-9-16)23-14-19-20(27)24-22(29)26(21(19)28)17-10-12-18(30-3)13-11-17/h6-14,28H,4-5H2,1-3H3,(H,24,27,29)/b23-14+
InChIKeyMFBAZQWKAFGHRE-OEAKJJBVSA-N
XLogP2.84
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 3828328) is 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is CCN(CC)c1ccc(/N=C/c2c(O)n(-c3ccc(OC)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is MFBAZQWKAFGHRE-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-25(5-2)16-8-6-15(7-9-16)23-14-19-20(27)24-22(29)26(21(19)28)17-10-12-18(30-3)13-11-17/h6-14,28H,4-5H2,1-3H3,(H,24,27,29)/b23-14+.
What are the key properties of 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 408.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3828328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).