ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate

C23H24N4O3 — CID 158655887

IUPACethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)nc3)n2)cc1
InChIInChI=1S/C23H24N4O3/c1-2-30-23(28)19-6-4-18(5-7-19)20-9-10-24-21(26-20)15-17-3-8-22(25-16-17)27-11-13-29-14-12-27/h3-10,16H,2,11-15H2,1H3
InChIKeyICDBBNYPEUMMBC-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.14
Rot. Bonds6

About ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate

ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate (PubChem CID 158655887) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate
PubChem CID158655887
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Nameethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)nc3)n2)cc1
InChIInChI=1S/C23H24N4O3/c1-2-30-23(28)19-6-4-18(5-7-19)20-9-10-24-21(26-20)15-17-3-8-22(25-16-17)27-11-13-29-14-12-27/h3-10,16H,2,11-15H2,1H3
InChIKeyICDBBNYPEUMMBC-UHFFFAOYSA-N
XLogP3.14
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate
CID 159140970
4-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]-3-oxobutanenitrile
CID 157074303
(2S)-2-hydroxy-2-methyl-N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]butanamide
CID 69021708
ethyl 4-(2-chloropyrimidin-4-yl)benzoate
CID 11065261
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate
CID 25469683
N-(aminomethyl)-4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]benzamide
CID 70864316
ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate
CID 20930637
ethyl 6-[4-(4-carbamoylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133307554
ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 30292906
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate?
The IUPAC name of ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate (CID 158655887) is ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate.
What is the SMILES notation for ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate?
The canonical SMILES for ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate is CCOC(=O)c1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)nc3)n2)cc1.
What is the InChIKey of ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate?
The InChIKey is ICDBBNYPEUMMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-30-23(28)19-6-4-18(5-7-19)20-9-10-24-21(26-20)15-17-3-8-22(25-16-17)27-11-13-29-14-12-27/h3-10,16H,2,11-15H2,1H3.
What are the key properties of ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate?
ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate has a molecular weight of 404.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate is sourced from PubChem (CID 158655887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).