2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one

C70H79F5N10O10 — CID 160686695

IUPAC2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(N3CCOCC3)c(F)c2)c(COC2CCCCC2)n1.Cc1cc(=O)n(-c2ccc(NCCN3CCOCC3)c(F)c2)c(COc2cccc(F)c2)n1.Cc1cc(=O)n(-c2ccc(OCCN3CCOCC3)c(F)c2)c(COc2cccc(F)c2)n1
InChIInChI=1S/C24H26F2N4O3.C24H25F2N3O4.C22H28FN3O3/c1-17-13-24(31)30(23(28-17)16-33-20-4-2-3-18(25)14-20)19-5-6-22(21(26)15-19)27-7-8-29-9-11-32-12-10-29;1-17-13-24(30)29(23(27-17)16-33-20-4-2-3-18(25)14-20)19-5-6-22(21(26)15-19)32-12-9-28-7-10-31-11-8-28;1-16-13-22(27)26(21(24-16)15-29-18-5-3-2-4-6-18)17-7-8-20(19(23)14-17)25-9-11-28-12-10-25/h2-6,13-15,27H,7-12,16H2,1H3;2-6,13-15H,7-12,16H2,1H3;7-8,13-14,18H,2-6,9-12,15H2,1H3
InChIKeyROVWQNHBXHKLQD-UHFFFAOYSA-N
MW1315.45 g/mol
LogP9.62
Rot. Bonds21

About 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one

2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one (PubChem CID 160686695) has the molecular formula C70H79F5N10O10 and a molecular weight of 1315.45 g/mol. Its IUPAC name is 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one
PubChem CID160686695
Molecular FormulaC70H79F5N10O10
Molecular Weight1315.45 g/mol
Exact Mass1314.59
IUPAC Name2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(N3CCOCC3)c(F)c2)c(COC2CCCCC2)n1.Cc1cc(=O)n(-c2ccc(NCCN3CCOCC3)c(F)c2)c(COc2cccc(F)c2)n1.Cc1cc(=O)n(-c2ccc(OCCN3CCOCC3)c(F)c2)c(COc2cccc(F)c2)n1
InChIInChI=1S/C24H26F2N4O3.C24H25F2N3O4.C22H28FN3O3/c1-17-13-24(31)30(23(28-17)16-33-20-4-2-3-18(25)14-20)19-5-6-22(21(26)15-19)27-7-8-29-9-11-32-12-10-29;1-17-13-24(30)29(23(27-17)16-33-20-4-2-3-18(25)14-20)19-5-6-22(21(26)15-19)32-12-9-28-7-10-31-11-8-28;1-16-13-22(27)26(21(24-16)15-29-18-5-3-2-4-6-18)17-7-8-20(19(23)14-17)25-9-11-28-12-10-25/h2-6,13-15,27H,7-12,16H2,1H3;2-6,13-15H,7-12,16H2,1H3;7-8,13-14,18H,2-6,9-12,15H2,1H3
InChIKeyROVWQNHBXHKLQD-UHFFFAOYSA-N
XLogP9.62
TPSA191.03 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001315.45
LogP ≤ 59.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one with MolForge

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Related Compounds

4-[2-fluoro-4-[2-[(3-fluorophenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]phenyl]morpholin-3-one
CID 90023277
3-(3-chloro-4-morpholin-4-ylphenyl)-2-[(3-iodophenoxy)methyl]-6-methylpyrimidin-4-one
CID 137402511
3-[4-[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]-3-methylphenyl]-2,6-dimethylpyrimidin-4-one
CID 134268104
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
3-cyclohexyloxy-5-fluorobenzoic acid;3-cyclohexyloxy-5-fluoro-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 157180794
1-(3-cyclohexyloxypropyl)-2-methyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111397763
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
3-[3-chloro-4-[4-(3-fluoroanilino)piperidin-1-yl]phenyl]-2,6-dimethylpyrimidin-4-one
CID 118164662
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea
CID 69346336
1-(2-cycloheptyloxyethyl)-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111576272
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one (CID 160686695) is 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(-c2ccc(N3CCOCC3)c(F)c2)c(COC2CCCCC2)n1.Cc1cc(=O)n(-c2ccc(NCCN3CCOCC3)c(F)c2)c(COc2cccc(F)c2)n1.Cc1cc(=O)n(-c2ccc(OCCN3CCOCC3)c(F)c2)c(COc2cccc(F)c2)n1.
What is the InChIKey of 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one?
The InChIKey is ROVWQNHBXHKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3.C24H25F2N3O4.C22H28FN3O3/c1-17-13-24(31)30(23(28-17)16-33-20-4-2-3-18(25)14-20)19-5-6-22(21(26)15-19)27-7-8-29-9-11-32-12-10-29;1-17-13-24(30)29(23(27-17)16-33-20-4-2-3-18(25)14-20)19-5-6-22(21(26)15-19)32-12-9-28-7-10-31-11-8-28;1-16-13-22(27)26(21(24-16)15-29-18-5-3-2-4-6-18)17-7-8-20(19(23)14-17)25-9-11-28-12-10-25/h2-6,13-15,27H,7-12,16H2,1H3;2-6,13-15H,7-12,16H2,1H3;7-8,13-14,18H,2-6,9-12,15H2,1H3.
What are the key properties of 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one?
2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one has a molecular weight of 1315.45 g/mol, XLogP of 9.62, 21 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyloxymethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one;3-[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]-2-[(3-fluorophenoxy)methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 160686695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).