methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate

C17H18N4O4 — CID 109252166

IUPACmethyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ncc(C(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C17H18N4O4/c1-24-16(23)12-2-4-14(5-3-12)20-17-18-10-13(11-19-17)15(22)21-6-8-25-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
InChIKeyYCIOLXBGDSOAMT-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.48
Rot. Bonds4

About methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate

methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate (PubChem CID 109252166) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
PubChem CID109252166
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Namemethyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ncc(C(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C17H18N4O4/c1-24-16(23)12-2-4-14(5-3-12)20-17-18-10-13(11-19-17)15(22)21-6-8-25-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19,20)
InChIKeyYCIOLXBGDSOAMT-UHFFFAOYSA-N
XLogP1.48
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252130
methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
CID 109228503
1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate
CID 53001664
methyl 3-[[5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109249344
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
1-[4-[2-(4-methylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254658
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
methyl 4-chloro-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]benzoate
CID 109153479
[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate (CID 109252166) is methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate is COC(=O)c1ccc(Nc2ncc(C(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate?
The InChIKey is YCIOLXBGDSOAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-24-16(23)12-2-4-14(5-3-12)20-17-18-10-13(11-19-17)15(22)21-6-8-25-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,18,19,20).
What are the key properties of methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate?
methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate has a molecular weight of 342.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate is sourced from PubChem (CID 109252166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).