4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine

C15H19FN6O — CID 157045389

IUPAC4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine
SMILESCc1nc2nc(N3CCOCC3)nc(N3CC(F)C3)c2nc1C
InChIInChI=1S/C15H19FN6O/c1-9-10(2)18-13-12(17-9)14(22-7-11(16)8-22)20-15(19-13)21-3-5-23-6-4-21/h11H,3-8H2,1-2H3
InChIKeyKJFFXLZZSMFBOY-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.03
Rot. Bonds2

About 4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine

4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine (PubChem CID 157045389) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine
PubChem CID157045389
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine
SMILESCc1nc2nc(N3CCOCC3)nc(N3CC(F)C3)c2nc1C
InChIInChI=1S/C15H19FN6O/c1-9-10(2)18-13-12(17-9)14(22-7-11(16)8-22)20-15(19-13)21-3-5-23-6-4-21/h11H,3-8H2,1-2H3
InChIKeyKJFFXLZZSMFBOY-UHFFFAOYSA-N
XLogP1.03
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole
CID 157045447
(2R)-4-[4-[(3R)-3-fluoropiperidin-1-yl]-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045280
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157044934
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
4-[4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045234
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]morpholine;2-methylpyridine
CID 157045972
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]morpholine;(Z)-3-cyclopropyliminoprop-1-en-1-amine
CID 157044637
4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine
CID 163441360
4-[4-(5-fluoro-6-methyl-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507773

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine?
The IUPAC name of 4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine (CID 157045389) is 4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine is Cc1nc2nc(N3CCOCC3)nc(N3CC(F)C3)c2nc1C.
What is the InChIKey of 4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine?
The InChIKey is KJFFXLZZSMFBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c1-9-10(2)18-13-12(17-9)14(22-7-11(16)8-22)20-15(19-13)21-3-5-23-6-4-21/h11H,3-8H2,1-2H3.
What are the key properties of 4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine?
4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine has a molecular weight of 318.36 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine is sourced from PubChem (CID 157045389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).