5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

C22H24N4O3 — CID 4220139

IUPAC5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(/N=C(\C)c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-4-25(5-2)17-13-11-16(12-14-17)23-15(3)19-20(27)24-22(29)26(21(19)28)18-9-7-6-8-10-18/h6-14,28H,4-5H2,1-3H3,(H,24,27,29)/b23-15+
InChIKeyUBNIUQVSALPKSJ-HZHRSRAPSA-N
MW392.46 g/mol
LogP3.22
Rot. Bonds6

About 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione

5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (PubChem CID 4220139) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
PubChem CID4220139
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
SMILESCCN(CC)c1ccc(/N=C(\C)c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-4-25(5-2)17-13-11-16(12-14-17)23-15(3)19-20(27)24-22(29)26(21(19)28)18-9-7-6-8-10-18/h6-14,28H,4-5H2,1-3H3,(H,24,27,29)/b23-15+
InChIKeyUBNIUQVSALPKSJ-HZHRSRAPSA-N
XLogP3.22
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 ≤ 53.22
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'}

Analyze 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-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-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione (CID 4220139) is 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is CCN(CC)c1ccc(/N=C(\C)c2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
The InChIKey is UBNIUQVSALPKSJ-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-25(5-2)17-13-11-16(12-14-17)23-15(3)19-20(27)24-22(29)26(21(19)28)18-9-7-6-8-10-18/h6-14,28H,4-5H2,1-3H3,(H,24,27,29)/b23-15+.
What are the key properties of 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione?
5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 4220139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).