6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine

C24H30F2N6O — CID 56647648

IUPAC6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCCOC1=NC(=NC(=N1)NCCC2=CC=C(C=C2)F)NCCC3=CC=C(C=C3)F
InChIInChI=1S/C24H30F2N6O/c1-32(2)16-3-17-33-24-30-22(27-14-12-18-4-8-20(25)9-5-18)29-23(31-24)28-15-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyWCTROQPDITWKTC-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.40
Rot. Bonds13

About 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine

6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 56647648) has the molecular formula C24H30F2N6O and a molecular weight of 456.50 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID56647648
Molecular FormulaC24H30F2N6O
Molecular Weight456.50 g/mol
Exact Mass456.24
IUPAC Name6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCCOC1=NC(=NC(=N1)NCCC2=CC=C(C=C2)F)NCCC3=CC=C(C=C3)F
InChIInChI=1S/C24H30F2N6O/c1-32(2)16-3-17-33-24-30-22(27-14-12-18-4-8-20(25)9-5-18)29-23(31-24)28-15-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyWCTROQPDITWKTC-UHFFFAOYSA-N
XLogP5.40
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms33
Complexity479

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-Allyl-N'-benzyl-6-ethoxy-[1,3,5]triazine-2,4-diamine
CID 3121126
2-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-N-[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 44393045
2-N-[1-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 44393075
n2,n4-Bis(4-fluorophenethyl)-n6-(3-(dimethylamino)propyl)-1,3,5-triazine-2,4,6-triamine
CID 56643402
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56646927
6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647584
2-[4-[[4,6-Bis[2-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]butyl]guanidine
CID 56647650
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 56647766
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(2-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647770
4-(4-benzylpiperidin-1-yl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 4455754
4-(4-benzylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 4455755
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 56646931

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 56647648) is 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine is CN(C)CCCOC1=NC(=NC(=N1)NCCC2=CC=C(C=C2)F)NCCC3=CC=C(C=C3)F.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WCTROQPDITWKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N6O/c1-32(2)16-3-17-33-24-30-22(27-14-12-18-4-8-20(25)9-5-18)29-23(31-24)28-15-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 456.50 g/mol, XLogP of 5.40, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56647648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).