ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate

C18H22N4O3 — CID 659609

IUPACethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H22N4O3/c1-3-25-17(23)14-4-6-15(7-5-14)20-16-12-13(2)19-18(21-16)22-8-10-24-11-9-22/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyJORNWHAWDCUIAU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.54
Rot. Bonds5

About ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate

ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate (PubChem CID 659609) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
PubChem CID659609
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nameethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H22N4O3/c1-3-25-17(23)14-4-6-15(7-5-14)20-16-12-13(2)19-18(21-16)22-8-10-24-11-9-22/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyJORNWHAWDCUIAU-UHFFFAOYSA-N
XLogP2.54
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 18580234
2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122325940
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112926026
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 53047921
4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122326059
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide
CID 122326128
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347
5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122326053
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-methylphenoxy)acetamide
CID 122326025

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate (CID 659609) is ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate?
The InChIKey is JORNWHAWDCUIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-25-17(23)14-4-6-15(7-5-14)20-16-12-13(2)19-18(21-16)22-8-10-24-11-9-22/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate?
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate is sourced from PubChem (CID 659609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).