4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane

C23H28F2N6O — CID 157045000

IUPAC4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane
SMILESCc1cc(C2CN(c3nc(C4CCC4)c4nc(C)c(C)nc4n3)CCO2)ccn1.FCF
InChIInChI=1S/C22H26N6O.CH2F2/c1-13-11-17(7-8-23-13)18-12-28(9-10-29-18)22-26-19(16-5-4-6-16)20-21(27-22)25-15(3)14(2)24-20;2-1-3/h7-8,11,16,18H,4-6,9-10,12H2,1-3H3;1H2
InChIKeyZARDLJJCSMUDCA-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.47
Rot. Bonds3

About 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane

4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane (PubChem CID 157045000) has the molecular formula C23H28F2N6O and a molecular weight of 442.51 g/mol. Its IUPAC name is 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane.

Molecular Properties

Compound Name4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane
PubChem CID157045000
Molecular FormulaC23H28F2N6O
Molecular Weight442.51 g/mol
Exact Mass442.23
IUPAC Name4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane
SMILESCc1cc(C2CN(c3nc(C4CCC4)c4nc(C)c(C)nc4n3)CCO2)ccn1.FCF
InChIInChI=1S/C22H26N6O.CH2F2/c1-13-11-17(7-8-23-13)18-12-28(9-10-29-18)22-26-19(16-5-4-6-16)20-21(27-22)25-15(3)14(2)24-20;2-1-3/h7-8,11,16,18H,4-6,9-10,12H2,1-3H3;1H2
InChIKeyZARDLJJCSMUDCA-UHFFFAOYSA-N
XLogP4.47
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane with MolForge

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Related Compounds

(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)but-3-enyl]pteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 167284147
(2S)-4-[4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 157045863
4-(4-cyclobutyl-7-methylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045970
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine
CID 157045644
4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044597
(2S)-4-(8-chloro-2,3-dimethylquinoxalin-6-yl)-2-(2-methyl-4-pyridinyl)morpholine
CID 157045232
(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
CID 157045162
4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
CID 157045695
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[3-(difluoromethyl)cyclobutyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 157045360
(2S)-2-(6-methylpyridazin-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
CID 157045843
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157044934
4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044853

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane?
The IUPAC name of 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane (CID 157045000) is 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane.
What is the SMILES notation for 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane?
The canonical SMILES for 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane is Cc1cc(C2CN(c3nc(C4CCC4)c4nc(C)c(C)nc4n3)CCO2)ccn1.FCF.
What is the InChIKey of 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane?
The InChIKey is ZARDLJJCSMUDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O.CH2F2/c1-13-11-17(7-8-23-13)18-12-28(9-10-29-18)22-26-19(16-5-4-6-16)20-21(27-22)25-15(3)14(2)24-20;2-1-3/h7-8,11,16,18H,4-6,9-10,12H2,1-3H3;1H2.
What are the key properties of 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane?
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane has a molecular weight of 442.51 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane is sourced from PubChem (CID 157045000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).