2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine

C18H19FN6O — CID 16910602

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine
SMILESCC1CN(c2nc(Nc3ccc(F)cc3)c3nccnc3n2)CC(C)O1
InChIInChI=1S/C18H19FN6O/c1-11-9-25(10-12(2)26-11)18-23-16-15(20-7-8-21-16)17(24-18)22-14-5-3-13(19)4-6-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,23,24)
InChIKeyPTUJMHHVAXAAIU-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.92
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine

2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine (PubChem CID 16910602) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine
PubChem CID16910602
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine
SMILESCC1CN(c2nc(Nc3ccc(F)cc3)c3nccnc3n2)CC(C)O1
InChIInChI=1S/C18H19FN6O/c1-11-9-25(10-12(2)26-11)18-23-16-15(20-7-8-21-16)17(24-18)22-14-5-3-13(19)4-6-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,23,24)
InChIKeyPTUJMHHVAXAAIU-UHFFFAOYSA-N
XLogP2.92
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine (CID 16910602) is 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine is CC1CN(c2nc(Nc3ccc(F)cc3)c3nccnc3n2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine?
The InChIKey is PTUJMHHVAXAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-11-9-25(10-12(2)26-11)18-23-16-15(20-7-8-21-16)17(24-18)22-14-5-3-13(19)4-6-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,23,24).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine?
2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine has a molecular weight of 354.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)pteridin-4-amine is sourced from PubChem (CID 16910602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).