6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C18H18FN5O — CID 58040288

IUPAC6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccc(F)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H18FN5O/c1-2-25-18-23-16(20-12-13-8-10-14(19)11-9-13)22-17(24-18)21-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H2,20,21,22,23,24)
InChIKeyQZSPFQMJJSHZFB-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.77
Rot. Bonds7

About 6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 58040288) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID58040288
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCc2ccc(F)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H18FN5O/c1-2-25-18-23-16(20-12-13-8-10-14(19)11-9-13)22-17(24-18)21-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H2,20,21,22,23,24)
InChIKeyQZSPFQMJJSHZFB-UHFFFAOYSA-N
XLogP3.77
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891413
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80771579
2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-ethoxy-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3386884
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80760425
2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58039396
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
4-ethoxy-6-(4-fluorophenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865729
2-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 50870749
N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 58040288) is 6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NCc2ccc(F)cc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QZSPFQMJJSHZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-2-25-18-23-16(20-12-13-8-10-14(19)11-9-13)22-17(24-18)21-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 339.37 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58040288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).