(5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

C19H17FN4O3 — CID 7340635

IUPAC(5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
SMILESCN(C)c1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H17FN4O3/c1-23(2)14-9-5-13(6-10-14)21-11-16-17(25)22-19(27)24(18(16)26)15-7-3-12(20)4-8-15/h3-11,16H,1-2H3,(H,22,25,27)/b21-11+/t16-/m1/s1
InChIKeyZYPQWAPHCICWQB-BTZNOAQDSA-N
MW368.37 g/mol
LogP2.49
Rot. Bonds4

About (5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

(5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7340635) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is (5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
PubChem CID7340635
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name(5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
SMILESCN(C)c1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H17FN4O3/c1-23(2)14-9-5-13(6-10-14)21-11-16-17(25)22-19(27)24(18(16)26)15-7-3-12(20)4-8-15/h3-11,16H,1-2H3,(H,22,25,27)/b21-11+/t16-/m1/s1
InChIKeyZYPQWAPHCICWQB-BTZNOAQDSA-N
XLogP2.49
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione (CID 7340635) is (5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is CN(C)c1ccc(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of (5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is ZYPQWAPHCICWQB-BTZNOAQDSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-23(2)14-9-5-13(6-10-14)21-11-16-17(25)22-19(27)24(18(16)26)15-7-3-12(20)4-8-15/h3-11,16H,1-2H3,(H,22,25,27)/b21-11+/t16-/m1/s1.
What are the key properties of (5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
(5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 368.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-(dimethylamino)phenyl]iminomethyl]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7340635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).