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

C14H16FN5O2 — CID 729148

IUPAC4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(COc2ccc(F)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H16FN5O2/c15-10-1-3-11(4-2-10)22-9-12-17-13(16)19-14(18-12)20-5-7-21-8-6-20/h1-4H,5-9H2,(H2,16,17,18,19)
InChIKeyHDXAUVNUXHYBEF-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.01
Rot. Bonds4

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

4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 729148) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID729148
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(COc2ccc(F)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H16FN5O2/c15-10-1-3-11(4-2-10)22-9-12-17-13(16)19-14(18-12)20-5-7-21-8-6-20/h1-4H,5-9H2,(H2,16,17,18,19)
InChIKeyHDXAUVNUXHYBEF-UHFFFAOYSA-N
XLogP1.01
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 729148) is 4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(COc2ccc(F)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HDXAUVNUXHYBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c15-10-1-3-11(4-2-10)22-9-12-17-13(16)19-14(18-12)20-5-7-21-8-6-20/h1-4H,5-9H2,(H2,16,17,18,19).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 305.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 729148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).