2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine

C14H18FN5O — CID 80866080

IUPAC2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC)nc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5O/c1-4-20(5-2)13-17-12(16-3)18-14(19-13)21-11-8-6-10(15)7-9-11/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyLXXNZUQVSAXMCD-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.69
Rot. Bonds6

About 2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80866080) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80866080
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC)nc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5O/c1-4-20(5-2)13-17-12(16-3)18-14(19-13)21-11-8-6-10(15)7-9-11/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyLXXNZUQVSAXMCD-UHFFFAOYSA-N
XLogP2.69
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866060
2-N,2-N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazine-2,4-diamine
CID 80869066
6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798516
2-N,2-N-diethyl-4-N-methyl-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
CID 80862256
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867459
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788
6-ethoxy-2-N-ethyl-2-N-(3-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80792211
4-methoxy-N-methyl-6-(4-propylphenoxy)-1,3,5-triazin-2-amine
CID 80878901
6-[2-(dimethylamino)-2-methylpropoxy]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80871928
2-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80809168
2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80880955
2-N,2-N,4-N-trimethyl-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 80872059

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80866080) is 2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NC)nc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LXXNZUQVSAXMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-4-20(5-2)13-17-12(16-3)18-14(19-13)21-11-8-6-10(15)7-9-11/h6-9H,4-5H2,1-3H3,(H,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.33 g/mol, XLogP of 2.69, 6 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-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80866080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).