[4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate

C23H22F2N4O4 — CID 68524555

IUPAC[4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate
SMILESO=C(NCCN1CCOCC1)Oc1nccc(-c2ccc(Oc3ccc(F)cc3F)cc2)n1
InChIInChI=1S/C23H22F2N4O4/c24-17-3-6-21(19(25)15-17)32-18-4-1-16(2-5-18)20-7-8-26-22(28-20)33-23(30)27-9-10-29-11-13-31-14-12-29/h1-8,15H,9-14H2,(H,27,30)
InChIKeyOYNIDNBNZFPDKJ-UHFFFAOYSA-N
MW456.45 g/mol
LogP3.63
Rot. Bonds7

About [4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate

[4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 68524555) has the molecular formula C23H22F2N4O4 and a molecular weight of 456.45 g/mol. Its IUPAC name is [4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

Compound Name[4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate
PubChem CID68524555
Molecular FormulaC23H22F2N4O4
Molecular Weight456.45 g/mol
Exact Mass456.16
IUPAC Name[4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate
SMILESO=C(NCCN1CCOCC1)Oc1nccc(-c2ccc(Oc3ccc(F)cc3F)cc2)n1
InChIInChI=1S/C23H22F2N4O4/c24-17-3-6-21(19(25)15-17)32-18-4-1-16(2-5-18)20-7-8-26-22(28-20)33-23(30)27-9-10-29-11-13-31-14-12-29/h1-8,15H,9-14H2,(H,27,30)
InChIKeyOYNIDNBNZFPDKJ-UHFFFAOYSA-N
XLogP3.63
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate?
The IUPAC name of [4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate (CID 68524555) is [4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate.
What is the SMILES notation for [4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate?
The canonical SMILES for [4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate is O=C(NCCN1CCOCC1)Oc1nccc(-c2ccc(Oc3ccc(F)cc3F)cc2)n1.
What is the InChIKey of [4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate?
The InChIKey is OYNIDNBNZFPDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O4/c24-17-3-6-21(19(25)15-17)32-18-4-1-16(2-5-18)20-7-8-26-22(28-20)33-23(30)27-9-10-29-11-13-31-14-12-29/h1-8,15H,9-14H2,(H,27,30).
What are the key properties of [4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate?
[4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 456.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,4-difluorophenoxy)phenyl]pyrimidin-2-yl] N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 68524555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).