4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one

C24H21ClF2N4O3 — CID 134166721

IUPAC4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
SMILESCc1cc(Oc2c(F)cc(COc3cc(C)n(Cc4cnn(C)c4)c(=O)n3)cc2F)ccc1Cl
InChIInChI=1S/C24H21ClF2N4O3/c1-14-6-18(4-5-19(14)25)34-23-20(26)8-16(9-21(23)27)13-33-22-7-15(2)31(24(32)29-22)12-17-10-28-30(3)11-17/h4-11H,12-13H2,1-3H3
InChIKeyNMAHVWWQKLANEQ-UHFFFAOYSA-N
MW486.91 g/mol
LogP4.94
Rot. Bonds7

About 4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one

4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one (PubChem CID 134166721) has the molecular formula C24H21ClF2N4O3 and a molecular weight of 486.91 g/mol. Its IUPAC name is 4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
PubChem CID134166721
Molecular FormulaC24H21ClF2N4O3
Molecular Weight486.91 g/mol
Exact Mass486.13
IUPAC Name4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one
SMILESCc1cc(Oc2c(F)cc(COc3cc(C)n(Cc4cnn(C)c4)c(=O)n3)cc2F)ccc1Cl
InChIInChI=1S/C24H21ClF2N4O3/c1-14-6-18(4-5-19(14)25)34-23-20(26)8-16(9-21(23)27)13-33-22-7-15(2)31(24(32)29-22)12-17-10-28-30(3)11-17/h4-11H,12-13H2,1-3H3
InChIKeyNMAHVWWQKLANEQ-UHFFFAOYSA-N
XLogP4.94
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.91
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-1-ethyl-6-methylpyrimidin-2-one
CID 134166720
(2R)-8-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 77105028
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-piperazin-4-ium-1-ylpyrimidin-2-one
CID 145108456
11-[[3,5-difluoro-4-(1-methylpyrazol-4-yl)oxyphenyl]methoxy]-5-oxa-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 161238439
4-[[4-[(6-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
CID 121448383
(2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
CID 118685737
4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-6-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrimidin-2-one
CID 121448462
7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 145003519
8-[[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]methoxy]-1-cyclopropyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 118982967
7-[[4-(3,4-dichlorophenoxy)-3,5-difluorophenyl]methoxy]imidazo[1,2-a]pyrimidine
CID 122695290
(2R,3R)-4-[[4-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-6-(4-methylpiperazin-1-yl)-2-oxopyrimidin-1-yl]methoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 139407230

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one?
The IUPAC name of 4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one (CID 134166721) is 4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one is Cc1cc(Oc2c(F)cc(COc3cc(C)n(Cc4cnn(C)c4)c(=O)n3)cc2F)ccc1Cl.
What is the InChIKey of 4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one?
The InChIKey is NMAHVWWQKLANEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N4O3/c1-14-6-18(4-5-19(14)25)34-23-20(26)8-16(9-21(23)27)13-33-22-7-15(2)31(24(32)29-22)12-17-10-28-30(3)11-17/h4-11H,12-13H2,1-3H3.
What are the key properties of 4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one?
4-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one has a molecular weight of 486.91 g/mol, XLogP of 4.94, 7 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-methylphenoxy)-3,5-difluorophenyl]methoxy]-6-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 134166721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).