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

C12H25N7 — CID 80776969

IUPAC4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCCCN(C)C)nc(N(C)C)n1
InChIInChI=1S/C12H25N7/c1-6-13-10-15-11(14-8-7-9-18(2)3)17-12(16-10)19(4)5/h6-9H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyMRXFFZUKIJKJDY-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.73
Rot. Bonds8

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

4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80776969) has the molecular formula C12H25N7 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80776969
Molecular FormulaC12H25N7
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCCCN(C)C)nc(N(C)C)n1
InChIInChI=1S/C12H25N7/c1-6-13-10-15-11(14-8-7-9-18(2)3)17-12(16-10)19(4)5/h6-9H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyMRXFFZUKIJKJDY-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-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855279
4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816587
4-N-[2-(dimethylamino)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80770283
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80845861
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80771087
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 114944712
6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
CID 106043693

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80776969) is 4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCCCN(C)C)nc(N(C)C)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MRXFFZUKIJKJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N7/c1-6-13-10-15-11(14-8-7-9-18(2)3)17-12(16-10)19(4)5/h6-9H2,1-5H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-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-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80776969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).