6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine

C26H37N7O2 — CID 56647767

IUPAC6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(CCNc2nc(NCCCN(C)C)nc(NCCc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C26H37N7O2/c1-33(2)19-5-16-27-24-30-25(28-17-14-20-6-10-22(34-3)11-7-20)32-26(31-24)29-18-15-21-8-12-23(35-4)13-9-21/h6-13H,5,14-19H2,1-4H3,(H3,27,28,29,30,31,32)
InChIKeyBPAMFCHUMVSSAU-UHFFFAOYSA-N
MW479.63 g/mol
LogP3.56
Rot. Bonds15

About 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine

6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 56647767) has the molecular formula C26H37N7O2 and a molecular weight of 479.63 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID56647767
Molecular FormulaC26H37N7O2
Molecular Weight479.63 g/mol
Exact Mass479.30
IUPAC Name6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(CCNc2nc(NCCCN(C)C)nc(NCCc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C26H37N7O2/c1-33(2)19-5-16-27-24-30-25(28-17-14-20-6-10-22(34-3)11-7-20)32-26(31-24)29-18-15-21-8-12-23(35-4)13-9-21/h6-13H,5,14-19H2,1-4H3,(H3,27,28,29,30,31,32)
InChIKeyBPAMFCHUMVSSAU-UHFFFAOYSA-N
XLogP3.56
TPSA96.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 56647767) is 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine is COc1ccc(CCNc2nc(NCCCN(C)C)nc(NCCc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BPAMFCHUMVSSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O2/c1-33(2)19-5-16-27-24-30-25(28-17-14-20-6-10-22(34-3)11-7-20)32-26(31-24)29-18-15-21-8-12-23(35-4)13-9-21/h6-13H,5,14-19H2,1-4H3,(H3,27,28,29,30,31,32).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine?
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 479.63 g/mol, XLogP of 3.56, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(4-methoxyphenyl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 56647767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).