(2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine

C24H25N3O2 — CID 166634181

IUPAC(2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine
SMILESc1ccc(C2CC(Oc3cc(N4CCO[C@@H](c5ccccc5)C4)ncn3)C2)cc1
InChIInChI=1S/C24H25N3O2/c1-3-7-18(8-4-1)20-13-21(14-20)29-24-15-23(25-17-26-24)27-11-12-28-22(16-27)19-9-5-2-6-10-19/h1-10,15,17,20-22H,11-14,16H2/t20?,21?,22-/m1/s1
InChIKeyASCJRRKWUBNNDJ-LZBANZJXSA-N
MW387.48 g/mol
LogP4.38
Rot. Bonds5

About (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine

(2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine (PubChem CID 166634181) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine
PubChem CID166634181
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine
SMILESc1ccc(C2CC(Oc3cc(N4CCO[C@@H](c5ccccc5)C4)ncn3)C2)cc1
InChIInChI=1S/C24H25N3O2/c1-3-7-18(8-4-1)20-13-21(14-20)29-24-15-23(25-17-26-24)27-11-12-28-22(16-27)19-9-5-2-6-10-19/h1-10,15,17,20-22H,11-14,16H2/t20?,21?,22-/m1/s1
InChIKeyASCJRRKWUBNNDJ-LZBANZJXSA-N
XLogP4.38
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine with MolForge

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Related Compounds

Elovl1-IN-3
CID 162641713
4-[6-(4-Methylphenoxy)-2-phenyl-4-pyrimidinyl]morpholine
CID 1484654
2-(1-(6-(Biphenyl-2-yloxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 46879717
4-[2-(4-Fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 164673350
6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 166626361
1-[6-[2-(4-Fluorophenyl)ethoxy]pyrimidin-4-yl]azepane
CID 166628525
(2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine
CID 166628894
4-[6-[2-(4-Fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine
CID 166632801
4-[6-[2-(4-Fluorophenyl)ethoxy]pyrimidin-4-yl]-1,4-oxazepane
CID 166633800
(2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine
CID 166635453
2,4-Bis(benzyloxy)pyrimidine
CID 10447380
4,6-Bis(benzyloxy)pyrimidine
CID 42553068

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine?
The IUPAC name of (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine (CID 166634181) is (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine.
What is the SMILES notation for (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine?
The canonical SMILES for (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine is c1ccc(C2CC(Oc3cc(N4CCO[C@@H](c5ccccc5)C4)ncn3)C2)cc1.
What is the InChIKey of (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine?
The InChIKey is ASCJRRKWUBNNDJ-LZBANZJXSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-7-18(8-4-1)20-13-21(14-20)29-24-15-23(25-17-26-24)27-11-12-28-22(16-27)19-9-5-2-6-10-19/h1-10,15,17,20-22H,11-14,16H2/t20?,21?,22-/m1/s1.
What are the key properties of (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine?
(2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine has a molecular weight of 387.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine is sourced from PubChem (CID 166634181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).