2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine

C14H18FN5O — CID 107171716

IUPAC2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H18FN5O/c1-4-20(5-2)13-17-12(16)18-14(19-13)21-10-7-6-9(3)11(15)8-10/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKeyNCPZTBQAVOTMDC-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.54
Rot. Bonds5

About 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 107171716) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine
PubChem CID107171716
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H18FN5O/c1-4-20(5-2)13-17-12(16)18-14(19-13)21-10-7-6-9(3)11(15)8-10/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKeyNCPZTBQAVOTMDC-UHFFFAOYSA-N
XLogP2.54
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazine-2,4-diamine
CID 80869066
2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80880955
2-N,2-N-diethyl-6-(3-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80881035
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788
2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
CID 107168482
4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80863574
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
CID 107169142
2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80751307
2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866080
6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866060
ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 23265613
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine (CID 107171716) is 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(Oc2ccc(C)c(F)c2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is NCPZTBQAVOTMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-4-20(5-2)13-17-12(16)18-14(19-13)21-10-7-6-9(3)11(15)8-10/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 291.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107171716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).