azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine

C22H26F2N6O — CID 166121345

IUPACazetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine
SMILESC1CNC1.Cc1nc2nc(N3CCOC(C)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C19H19F2N5O.C3H7N/c1-10-9-26(6-7-27-10)19-24-16(14-5-4-13(20)8-15(14)21)17-18(25-19)23-12(3)11(2)22-17;1-2-4-3-1/h4-5,8,10H,6-7,9H2,1-3H3;4H,1-3H2
InChIKeyJHKDQSDJLJAYNY-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.19
Rot. Bonds2

About azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine

azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine (PubChem CID 166121345) has the molecular formula C22H26F2N6O and a molecular weight of 428.49 g/mol. Its IUPAC name is azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine.

Molecular Properties

Compound Nameazetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine
PubChem CID166121345
Molecular FormulaC22H26F2N6O
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Nameazetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine
SMILESC1CNC1.Cc1nc2nc(N3CCOC(C)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C19H19F2N5O.C3H7N/c1-10-9-26(6-7-27-10)19-24-16(14-5-4-13(20)8-15(14)21)17-18(25-19)23-12(3)11(2)22-17;1-2-4-3-1/h4-5,8,10H,6-7,9H2,1-3H3;4H,1-3H2
InChIKeyJHKDQSDJLJAYNY-UHFFFAOYSA-N
XLogP3.19
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole
CID 166121288
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
CID 157044437
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 166122956
(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 166121706
(R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol
CID 166121533
(Z)-2-[amino(cyclopropyl)amino]-1-[1-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]pyrrolidin-3-yl]ethenamine;methanol
CID 177137153
(2S)-4-[4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 157045863
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6,7-bis(trideuteriomethyl)pteridin-2-yl]-6-methylmorpholine
CID 166121864
benzyl 3-[(2R,6R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-methylmorpholin-2-yl]azetidine-1-carboxylate
CID 166121613
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine
CID 166123092

Frequently Asked Questions

What is the IUPAC name of azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine?
The IUPAC name of azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine (CID 166121345) is azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine.
What is the SMILES notation for azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine?
The canonical SMILES for azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine is C1CNC1.Cc1nc2nc(N3CCOC(C)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine?
The InChIKey is JHKDQSDJLJAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O.C3H7N/c1-10-9-26(6-7-27-10)19-24-16(14-5-4-13(20)8-15(14)21)17-18(25-19)23-12(3)11(2)22-17;1-2-4-3-1/h4-5,8,10H,6-7,9H2,1-3H3;4H,1-3H2.
What are the key properties of azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine?
azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine has a molecular weight of 428.49 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine is sourced from PubChem (CID 166121345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).