methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate

C22H21N3O4 — CID 23827389

IUPACmethyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H21N3O4/c1-27-22(26)17-7-9-18(10-8-17)29-20-15-19(25-11-13-28-14-12-25)23-21(24-20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKeyIKOGXWYQANEFMH-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.56
Rot. Bonds5

About methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate

methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate (PubChem CID 23827389) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate
PubChem CID23827389
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Namemethyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H21N3O4/c1-27-22(26)17-7-9-18(10-8-17)29-20-15-19(25-11-13-28-14-12-25)23-21(24-20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKeyIKOGXWYQANEFMH-UHFFFAOYSA-N
XLogP3.56
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate
CID 47079750
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
methyl 4-(4-methyl-6-morpholin-4-yl-2-pyridinyl)benzoate;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;methyl 4-(4-methyl-2-pyridinyl)benzoate;4-methyl-2-phenylpyridine;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine
CID 158873466
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135
N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880580
N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853445
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853415

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate?
The IUPAC name of methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate (CID 23827389) is methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate?
The canonical SMILES for methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate is COC(=O)c1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate?
The InChIKey is IKOGXWYQANEFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-27-22(26)17-7-9-18(10-8-17)29-20-15-19(25-11-13-28-14-12-25)23-21(24-20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3.
What are the key properties of methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate?
methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate has a molecular weight of 391.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate is sourced from PubChem (CID 23827389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).