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

C22H24N4O3 — CID 659624

IUPAC5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(/N=C/c2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-4-25(5-2)17-12-10-16(11-13-17)23-14-18-20(27)24-22(29)26(21(18)28)19-9-7-6-8-15(19)3/h6-14,28H,4-5H2,1-3H3,(H,24,27,29)/b23-14+
InChIKeyYIPGIQLIWUZBEF-OEAKJJBVSA-N
MW392.46 g/mol
LogP3.14
Rot. Bonds6

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

5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 659624) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID659624
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(/N=C/c2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-4-25(5-2)17-12-10-16(11-13-17)23-14-18-20(27)24-22(29)26(21(18)28)19-9-7-6-8-15(19)3/h6-14,28H,4-5H2,1-3H3,(H,24,27,29)/b23-14+
InChIKeyYIPGIQLIWUZBEF-OEAKJJBVSA-N
XLogP3.14
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione (CID 659624) is 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione is CCN(CC)c1ccc(/N=C/c2c(O)n(-c3ccccc3C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is YIPGIQLIWUZBEF-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-25(5-2)17-12-10-16(11-13-17)23-14-18-20(27)24-22(29)26(21(18)28)19-9-7-6-8-15(19)3/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-(2-methylphenyl)pyrimidine-2,4-dione?
5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)phenyl]iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 659624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).