2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C14H19FN6 — CID 80792799

IUPAC2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(c1cccc(F)c1)c1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C14H19FN6/c1-5-21(11-8-6-7-10(15)9-11)14-18-12(16-2)17-13(19-14)20(3)4/h6-9H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyVKRGITOORFUCBA-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.28
Rot. Bonds5

About 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80792799) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80792799
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(c1cccc(F)c1)c1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C14H19FN6/c1-5-21(11-8-6-7-10(15)9-11)14-18-12(16-2)17-13(19-14)20(3)4/h6-9H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyVKRGITOORFUCBA-UHFFFAOYSA-N
XLogP2.28
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-ethoxy-2-N-ethyl-2-N-(3-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80792211
2-N-ethyl-6-hydrazinyl-4-N,4-N-dimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80918358
4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80934393
2-N-(3-methoxyphenyl)-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 80796248
2-(N-ethyl-3-fluoroanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547162
6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798516
6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
CID 115474017
6-[(3-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243204
4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759355
2-N,4-N,4-N,6-N-tetramethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80774094
6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine
CID 62480942
3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 102750868

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80792799) is 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CCN(c1cccc(F)c1)c1nc(NC)nc(N(C)C)n1.
What is the InChIKey of 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VKRGITOORFUCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-5-21(11-8-6-7-10(15)9-11)14-18-12(16-2)17-13(19-14)20(3)4/h6-9H,5H2,1-4H3,(H,16,17,18,19).
What are the key properties of 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 290.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80792799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).