4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C14H15ClFN5O2 — CID 729416

IUPAC4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(COc2ccc(F)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C14H15ClFN5O2/c15-10-7-9(16)1-2-11(10)23-8-12-18-13(17)20-14(19-12)21-3-5-22-6-4-21/h1-2,7H,3-6,8H2,(H2,17,18,19,20)
InChIKeyDEICCHLVQHTUEP-UHFFFAOYSA-N
MW339.76 g/mol
LogP1.66
Rot. Bonds4

About 4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 729416) has the molecular formula C14H15ClFN5O2 and a molecular weight of 339.76 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID729416
Molecular FormulaC14H15ClFN5O2
Molecular Weight339.76 g/mol
Exact Mass339.09
IUPAC Name4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(COc2ccc(F)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C14H15ClFN5O2/c15-10-7-9(16)1-2-11(10)23-8-12-18-13(17)20-14(19-12)21-3-5-22-6-4-21/h1-2,7H,3-6,8H2,(H2,17,18,19,20)
InChIKeyDEICCHLVQHTUEP-UHFFFAOYSA-N
XLogP1.66
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 729416) is 4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(COc2ccc(F)cc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is DEICCHLVQHTUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5O2/c15-10-7-9(16)1-2-11(10)23-8-12-18-13(17)20-14(19-12)21-3-5-22-6-4-21/h1-2,7H,3-6,8H2,(H2,17,18,19,20).
What are the key properties of 4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 339.76 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 729416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).