6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

C13H18N6 — CID 80768818

IUPAC6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C13H18N6/c1-4-14-11-16-12(18-13(17-11)19(2)3)15-10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyXGBZKHKJGNQAPQ-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.11
Rot. Bonds5

About 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80768818) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80768818
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C13H18N6/c1-4-14-11-16-12(18-13(17-11)19(2)3)15-10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyXGBZKHKJGNQAPQ-UHFFFAOYSA-N
XLogP2.11
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80769203
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815708
4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80737154
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80736602
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444
6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80728955
2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 90346186
6-N-ethyl-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80773733
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(4-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80887308

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 80768818) is 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(Nc2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XGBZKHKJGNQAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-4-14-11-16-12(18-13(17-11)19(2)3)15-10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 258.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80768818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).