ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate

C26H28FN5O5 — CID 70975255

IUPACethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc(N2CCOCC2)c1OCC
InChIInChI=1S/C26H28FN5O5/c1-3-36-22-21(25(33)37-4-2)30-23(31-24(22)32-13-15-35-16-14-32)17-5-9-19(10-6-17)28-26(34)29-20-11-7-18(27)8-12-20/h5-12H,3-4,13-16H2,1-2H3,(H2,28,29,34)
InChIKeyMNKHJPAEWLODFL-UHFFFAOYSA-N
MW509.54 g/mol
LogP4.34
Rot. Bonds8

About ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate

ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate (PubChem CID 70975255) has the molecular formula C26H28FN5O5 and a molecular weight of 509.54 g/mol. Its IUPAC name is ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
PubChem CID70975255
Molecular FormulaC26H28FN5O5
Molecular Weight509.54 g/mol
Exact Mass509.21
IUPAC Nameethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc(N2CCOCC2)c1OCC
InChIInChI=1S/C26H28FN5O5/c1-3-36-22-21(25(33)37-4-2)30-23(31-24(22)32-13-15-35-16-14-32)17-5-9-19(10-6-17)28-26(34)29-20-11-7-18(27)8-12-20/h5-12H,3-4,13-16H2,1-2H3,(H2,28,29,34)
InChIKeyMNKHJPAEWLODFL-UHFFFAOYSA-N
XLogP4.34
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate with MolForge

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Related Compounds

ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate
CID 67298185
ethyl 5-ethoxy-2-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295483
ethyl 2-(3,5-difluorophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295376
5-ethoxy-6-morpholin-4-yl-2-[4-(propan-2-ylcarbamoylamino)phenyl]pyrimidine-4-carboxylic acid
CID 122614590
4-[[4-[4-(diethylamino)-5-ethoxy-6-ethoxycarbonylpyrimidin-2-yl]phenyl]carbamoylamino]benzoic acid
CID 123897300
phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate
CID 67297392
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 123952017
1-[4-[7-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44601280
[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
CID 67297519
N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516188
1-(4-fluorophenyl)-3-[4-[4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]urea
CID 66585746
N-[4-[[4-(6-fluoro-4-morpholin-4-yl-7-pyrimidin-5-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 123932852

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate (CID 70975255) is ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate is CCOC(=O)c1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc(N2CCOCC2)c1OCC.
What is the InChIKey of ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate?
The InChIKey is MNKHJPAEWLODFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O5/c1-3-36-22-21(25(33)37-4-2)30-23(31-24(22)32-13-15-35-16-14-32)17-5-9-19(10-6-17)28-26(34)29-20-11-7-18(27)8-12-20/h5-12H,3-4,13-16H2,1-2H3,(H2,28,29,34).
What are the key properties of ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate?
ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate has a molecular weight of 509.54 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate is sourced from PubChem (CID 70975255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).