4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one

C23H21ClF3N3O4 — CID 121448372

IUPAC4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
SMILESCn1c(N2CCOCC2)cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc1=O
InChIInChI=1S/C23H21ClF3N3O4/c1-29-21(30-8-10-32-11-9-30)13-20(28-22(29)31)33-14-15-2-4-16(5-3-15)34-17-6-7-19(24)18(12-17)23(25,26)27/h2-7,12-13H,8-11,14H2,1H3
InChIKeyYERHBAYMIPUSGH-UHFFFAOYSA-N
MW495.89 g/mol
LogP4.66
Rot. Bonds6

About 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one

4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one (PubChem CID 121448372) has the molecular formula C23H21ClF3N3O4 and a molecular weight of 495.89 g/mol. Its IUPAC name is 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
PubChem CID121448372
Molecular FormulaC23H21ClF3N3O4
Molecular Weight495.89 g/mol
Exact Mass495.12
IUPAC Name4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
SMILESCn1c(N2CCOCC2)cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc1=O
InChIInChI=1S/C23H21ClF3N3O4/c1-29-21(30-8-10-32-11-9-30)13-20(28-22(29)31)33-14-15-2-4-16(5-3-15)34-17-6-7-19(24)18(12-17)23(25,26)27/h2-7,12-13H,8-11,14H2,1H3
InChIKeyYERHBAYMIPUSGH-UHFFFAOYSA-N
XLogP4.66
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.89
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[1,1-Bis(Oxidanylidene)-1,4-Thiazinan-4-Yl]-4-[[4-[4-Chloranyl-3-(Trifluoromethyl)phenoxy]-3,5-Bis(Fluoranyl)phenyl]methoxy]-1-Methyl-Pyrimidin-2-One
CID 121005813
4-[4-[3-(Trifluoromethyl)-4-chlorophenoxy]-3-cyanobenzyloxy]-6-morpholino-1-methylpyrimidine-2(1H)-one
CID 121448374
4-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-piperidin-1-ylpyrimidin-2-one
CID 121448333
4-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one
CID 121448334
4-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-6-(diethylamino)-1-methylpyrimidin-2-one
CID 121448337
4-[4-[3-(Trifluoromethyl)-4-chlorophenoxy]-3,5-difluorobenzyloxy]-6-morpholino-1-methylpyrimidine-2(1H)-one
CID 121448368
4-[4-[3-(Trifluoromethyl)-4-chlorophenoxy]-3-fluorobenzyloxy]-6-morpholino-1-methylpyrimidine-2(1H)-one
CID 121448380
4-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-6-[cyclopropyl(methyl)amino]-1-methylpyrimidin-2-one
CID 121448402
4-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one
CID 121448406
4-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-6-(4-fluoropiperidin-1-yl)-1-methylpyrimidin-2-one
CID 121448411
4-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-1,6-dimethylpyrimidin-2-one
CID 121448417
4-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-1-ethyl-6-methylpyrimidin-2-one
CID 121448418

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?
The IUPAC name of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one (CID 121448372) is 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one.
What is the SMILES notation for 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?
The canonical SMILES for 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one is Cn1c(N2CCOCC2)cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc1=O.
What is the InChIKey of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?
The InChIKey is YERHBAYMIPUSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O4/c1-29-21(30-8-10-32-11-9-30)13-20(28-22(29)31)33-14-15-2-4-16(5-3-15)34-17-6-7-19(24)18(12-17)23(25,26)27/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one has a molecular weight of 495.89 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one is sourced from PubChem (CID 121448372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).