6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C14H19FN6 — CID 80728955

IUPAC6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(Nc2ccc(C)cc2F)nc(N(C)C)n1
InChIInChI=1S/C14H19FN6/c1-5-16-12-18-13(20-14(19-12)21(3)4)17-11-7-6-9(2)8-10(11)15/h6-8H,5H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyDVXFLSLYSOGDOK-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.56
Rot. Bonds5

About 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80728955) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80728955
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(Nc2ccc(C)cc2F)nc(N(C)C)n1
InChIInChI=1S/C14H19FN6/c1-5-16-12-18-13(20-14(19-12)21(3)4)17-11-7-6-9(2)8-10(11)15/h6-8H,5H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyDVXFLSLYSOGDOK-UHFFFAOYSA-N
XLogP2.56
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80916377
2-N-(2,5-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589380
6-N-ethyl-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80773733
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
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-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 115502738
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815708
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid
CID 147563002
6-chloro-2-N-(2-chloro-5-methylphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107638979
4-N-ethyl-6-(3-fluoro-2-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 115503066
4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869327
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 80728955) is 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(Nc2ccc(C)cc2F)nc(N(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DVXFLSLYSOGDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-5-16-12-18-13(20-14(19-12)21(3)4)17-11-7-6-9(2)8-10(11)15/h6-8H,5H2,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 290.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80728955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).