1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione

C27H30N6O3 — CID 46894310

IUPAC1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione
SMILESCN(C)c1ccc(-n2c(=O)n(-c3ccc(N(C)C)cc3)c(=O)n(-c3ccc(N(C)C)cc3)c2=O)cc1
InChIInChI=1S/C27H30N6O3/c1-28(2)19-7-13-22(14-8-19)31-25(34)32(23-15-9-20(10-16-23)29(3)4)27(36)33(26(31)35)24-17-11-21(12-18-24)30(5)6/h7-18H,1-6H3
InChIKeyUOACJYINXOMXSI-UHFFFAOYSA-N
MW486.58 g/mol
LogP2.34
Rot. Bonds6

About 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 46894310) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID46894310
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione
SMILESCN(C)c1ccc(-n2c(=O)n(-c3ccc(N(C)C)cc3)c(=O)n(-c3ccc(N(C)C)cc3)c2=O)cc1
InChIInChI=1S/C27H30N6O3/c1-28(2)19-7-13-22(14-8-19)31-25(34)32(23-15-9-20(10-16-23)29(3)4)27(36)33(26(31)35)24-17-11-21(12-18-24)30(5)6/h7-18H,1-6H3
InChIKeyUOACJYINXOMXSI-UHFFFAOYSA-N
XLogP2.34
TPSA75.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 101239700
CID 101239700
1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
CID 584033
1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione
CID 43617215
1-[4-(dimethylamino)phenyl]pyrrolidine-2,4-dione
CID 79516096
3-amino-2-[4-(dimethylamino)phenyl]isoquinolin-1-one
CID 43617222
4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione
CID 82346643
1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione
CID 43617146
7,18-bis[4-(dimethylamino)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 58203057
2-[4-(dimethylamino)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2865708
1-[4-(dimethylamino)phenyl]piperazine-2,5-dione
CID 64955126
17-[4-(dimethylamino)phenyl]-1-methyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;17-[4-(dimethylamino)phenyl]-1-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 161061221
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione (CID 46894310) is 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione is CN(C)c1ccc(-n2c(=O)n(-c3ccc(N(C)C)cc3)c(=O)n(-c3ccc(N(C)C)cc3)c2=O)cc1.
What is the InChIKey of 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is UOACJYINXOMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-28(2)19-7-13-22(14-8-19)31-25(34)32(23-15-9-20(10-16-23)29(3)4)27(36)33(26(31)35)24-17-11-21(12-18-24)30(5)6/h7-18H,1-6H3.
What are the key properties of 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 486.58 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 46894310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).