phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate

C28H31N5O6 — CID 67297392

IUPACphenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate
SMILESCCOc1c(C(=O)N2CCOCC2)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C28H31N5O6/c1-2-38-24-23(27(34)33-14-18-37-19-15-33)30-25(31-26(24)32-12-16-36-17-13-32)20-8-10-21(11-9-20)29-28(35)39-22-6-4-3-5-7-22/h3-11H,2,12-19H2,1H3,(H,29,35)
InChIKeyWAVXWGKLZDNGDE-UHFFFAOYSA-N
MW533.59 g/mol
LogP3.46
Rot. Bonds7

About phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate

phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate (PubChem CID 67297392) has the molecular formula C28H31N5O6 and a molecular weight of 533.59 g/mol. Its IUPAC name is phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate
PubChem CID67297392
Molecular FormulaC28H31N5O6
Molecular Weight533.59 g/mol
Exact Mass533.23
IUPAC Namephenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate
SMILESCCOc1c(C(=O)N2CCOCC2)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C28H31N5O6/c1-2-38-24-23(27(34)33-14-18-37-19-15-33)30-25(31-26(24)32-12-16-36-17-13-32)20-8-10-21(11-9-20)29-28(35)39-22-6-4-3-5-7-22/h3-11H,2,12-19H2,1H3,(H,29,35)
InChIKeyWAVXWGKLZDNGDE-UHFFFAOYSA-N
XLogP3.46
TPSA115.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate with MolForge

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Related Compounds

5-ethoxy-6-morpholin-4-yl-2-[4-(propan-2-ylcarbamoylamino)phenyl]pyrimidine-4-carboxylic acid
CID 122614590
ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 70975255
ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate
CID 67298185
N-(4-ethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886408
ethyl 5-ethoxy-2-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295483
[4-(7-benzoyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl] N-ethylcarbamate
CID 44816634
ethyl 2-(3,5-difluorophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295376
phenyl 4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 68866548
phenyl N-[4-[4-(2-cyclopentylsulfonylpropan-2-yl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate
CID 143633032
phenyl N-[4-[4-(2-cyclohexylsulfanylpropan-2-yl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate
CID 143633117
methyl 4-[6-[4-[(4-fluorophenoxy)carbonylamino]phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 68866660
[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
CID 67297519

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate?
The IUPAC name of phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate (CID 67297392) is phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate?
The canonical SMILES for phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate is CCOc1c(C(=O)N2CCOCC2)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)nc1N1CCOCC1.
What is the InChIKey of phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate?
The InChIKey is WAVXWGKLZDNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O6/c1-2-38-24-23(27(34)33-14-18-37-19-15-33)30-25(31-26(24)32-12-16-36-17-13-32)20-8-10-21(11-9-20)29-28(35)39-22-6-4-3-5-7-22/h3-11H,2,12-19H2,1H3,(H,29,35).
What are the key properties of phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate?
phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate has a molecular weight of 533.59 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate is sourced from PubChem (CID 67297392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).