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

C14H19FN6 — CID 80751307

IUPAC2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C14H19FN6/c1-4-21(5-2)14-19-12(16)18-13(20-14)17-11-8-10(15)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyWMKZJUHRVBCGIW-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.49
Rot. Bonds5

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

2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80751307) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80751307
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C14H19FN6/c1-4-21(5-2)14-19-12(16)18-13(20-14)17-11-8-10(15)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyWMKZJUHRVBCGIW-UHFFFAOYSA-N
XLogP2.49
TPSA79.96 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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 80751307) is 2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(Nc2cc(F)ccc2C)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WMKZJUHRVBCGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-4-21(5-2)14-19-12(16)18-13(20-14)17-11-8-10(15)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 290.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80751307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).