4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C12H25N7 — CID 80816587

IUPAC4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCCCCN(C)C)nc(N(C)C)n1
InChIInChI=1S/C12H25N7/c1-13-10-15-11(17-12(16-10)19(4)5)14-8-6-7-9-18(2)3/h6-9H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyUWWGCZTUEXONTN-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.73
Rot. Bonds8

About 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80816587) has the molecular formula C12H25N7 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80816587
Molecular FormulaC12H25N7
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCCCCN(C)C)nc(N(C)C)n1
InChIInChI=1S/C12H25N7/c1-13-10-15-11(17-12(16-10)19(4)5)14-8-6-7-9-18(2)3/h6-9H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyUWWGCZTUEXONTN-UHFFFAOYSA-N
XLogP0.73
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine 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

4-N-[2-(dimethylamino)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80770283
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776969
2-N,2-N,6-N-trimethyl-4-N-(7-methyloctyl)-1,3,5-triazine-2,4,6-triamine
CID 107818936
2-N,2-N,6-N-trimethyl-4-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4,6-triamine
CID 115523189
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80816661
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-N,2-N,6-N-trimethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80839638
2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311620
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80796786
4-N-(2-ethoxyethyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80793588
6-N-[3-[9-[3-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261594
4-N-(2-cyclopentylethyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80790236

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80816587) is 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCCCCN(C)C)nc(N(C)C)n1.
What is the InChIKey of 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UWWGCZTUEXONTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N7/c1-13-10-15-11(17-12(16-10)19(4)5)14-8-6-7-9-18(2)3/h6-9H2,1-5H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 267.38 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80816587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).