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

C12H25N7 — CID 80778165

IUPAC4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCCCN(C)C)n1
InChIInChI=1S/C12H25N7/c1-5-19(6-2)12-16-10(13)15-11(17-12)14-8-7-9-18(3)4/h5-9H2,1-4H3,(H3,13,14,15,16,17)
InChIKeyGYUKFHFYUHEKEZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.66
Rot. Bonds8

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

4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80778165) has the molecular formula C12H25N7 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80778165
Molecular FormulaC12H25N7
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCCCN(C)C)n1
InChIInChI=1S/C12H25N7/c1-5-19(6-2)12-16-10(13)15-11(17-12)14-8-7-9-18(3)4/h5-9H2,1-4H3,(H3,13,14,15,16,17)
InChIKeyGYUKFHFYUHEKEZ-UHFFFAOYSA-N
XLogP0.66
TPSA83.20 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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241608
2-N,2-N-diethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804891
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343509
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80788682
N-[2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788576
2-N,2-N-diethyl-4-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80757025
2-N,2-N-diethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 106433977
2-[[4-amino-6-[2-hydroxyethyl(propyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 68587317
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776969
2-[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 19611874

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 80778165) is 4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NCCCN(C)C)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GYUKFHFYUHEKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N7/c1-5-19(6-2)12-16-10(13)15-11(17-12)14-8-7-9-18(3)4/h5-9H2,1-4H3,(H3,13,14,15,16,17).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 267.38 g/mol, XLogP of 0.66, 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]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80778165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).