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

C24H33N7 — CID 56647766

IUPAC6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCCc2ccccc2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C24H33N7/c1-31(2)19-9-16-25-22-28-23(26-17-14-20-10-5-3-6-11-20)30-24(29-22)27-18-15-21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3,(H3,25,26,27,28,29,30)
InChIKeyYDBALLPQKBNCPS-UHFFFAOYSA-N
MW419.58 g/mol
LogP3.54
Rot. Bonds13

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

6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 56647766) has the molecular formula C24H33N7 and a molecular weight of 419.58 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID56647766
Molecular FormulaC24H33N7
Molecular Weight419.58 g/mol
Exact Mass419.28
IUPAC Name6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCCc2ccccc2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C24H33N7/c1-31(2)19-9-16-25-22-28-23(26-17-14-20-10-5-3-6-11-20)30-24(29-22)27-18-15-21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3,(H3,25,26,27,28,29,30)
InChIKeyYDBALLPQKBNCPS-UHFFFAOYSA-N
XLogP3.54
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913622
3-N-[3-(dimethylamino)propyl]-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112945648
N-benzyl-2-[3-(dimethylamino)propylamino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 45488377
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 56646931
2-N,4-N-bis[(4-chlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646930
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913490
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
4-N-benzyl-2-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 112887748
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine (CID 56647766) is 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-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-phenylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine is CN(C)CCCNc1nc(NCCc2ccccc2)nc(NCCc2ccccc2)n1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YDBALLPQKBNCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7/c1-31(2)19-9-16-25-22-28-23(26-17-14-20-10-5-3-6-11-20)30-24(29-22)27-18-15-21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3,(H3,25,26,27,28,29,30).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine?
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 419.58 g/mol, XLogP of 3.54, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 56647766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).