(2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine

C20H22N6O2 — CID 166635453

IUPAC(2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine
SMILESc1ccc([C@H]2CN(c3cc(OC4CC(n5ccnn5)C4)ncn3)CCO2)cc1
InChIInChI=1S/C20H22N6O2/c1-2-4-15(5-3-1)18-13-25(8-9-27-18)19-12-20(22-14-21-19)28-17-10-16(11-17)26-7-6-23-24-26/h1-7,12,14,16-18H,8-11,13H2/t16?,17?,18-/m1/s1
InChIKeyQJUYMEBMFILZDE-DAWZGUTISA-N
MW378.44 g/mol
LogP2.43
Rot. Bonds5

About (2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine

(2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine (PubChem CID 166635453) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is (2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine
PubChem CID166635453
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name(2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine
SMILESc1ccc([C@H]2CN(c3cc(OC4CC(n5ccnn5)C4)ncn3)CCO2)cc1
InChIInChI=1S/C20H22N6O2/c1-2-4-15(5-3-1)18-13-25(8-9-27-18)19-12-20(22-14-21-19)28-17-10-16(11-17)26-7-6-23-24-26/h1-7,12,14,16-18H,8-11,13H2/t16?,17?,18-/m1/s1
InChIKeyQJUYMEBMFILZDE-DAWZGUTISA-N
XLogP2.43
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine?
The IUPAC name of (2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine (CID 166635453) is (2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine.
What is the SMILES notation for (2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine?
The canonical SMILES for (2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine is c1ccc([C@H]2CN(c3cc(OC4CC(n5ccnn5)C4)ncn3)CCO2)cc1.
What is the InChIKey of (2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine?
The InChIKey is QJUYMEBMFILZDE-DAWZGUTISA-N. The full InChI is InChI=1S/C20H22N6O2/c1-2-4-15(5-3-1)18-13-25(8-9-27-18)19-12-20(22-14-21-19)28-17-10-16(11-17)26-7-6-23-24-26/h1-7,12,14,16-18H,8-11,13H2/t16?,17?,18-/m1/s1.
What are the key properties of (2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine?
(2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine has a molecular weight of 378.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine is sourced from PubChem (CID 166635453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).