1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide

C108H115F4N13O14S — CID 165107481

IUPAC1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide
SMILESCc1nc(-c2ccc(CC(=O)Cc3ccc(C(C)(C)O)cc3)cc2)nc(N2CCOCC2)c1F.Cc1nc(-c2ccc(CC(=O)Cc3ccc(CC(=O)NS(C)(=O)=O)cc3)cc2)nc(N2CCOCC2)c1F.Cc1nc(-c2ccc(CC(=O)Cc3ccc(CO)cc3)cc2)nc(N2CCOCC2)c1F.Cc1nc(-c2ccc(CC(=O)Cc3ccc4c(c3)CC(=O)C4(C)C)cc2)nc(N2CCOCC2)c1F
InChIInChI=1S/C29H30FN3O3.C27H29FN4O5S.C27H30FN3O3.C25H26FN3O3/c1-18-26(30)28(33-10-12-36-13-11-33)32-27(31-18)21-7-4-19(5-8-21)15-23(34)16-20-6-9-24-22(14-20)17-25(35)29(24,2)3;1-18-25(28)27(32-11-13-37-14-12-32)30-26(29-18)22-9-7-20(8-10-22)16-23(33)15-19-3-5-21(6-4-19)17-24(34)31-38(2,35)36;1-18-24(28)26(31-12-14-34-15-13-31)30-25(29-18)21-8-4-19(5-9-21)16-23(32)17-20-6-10-22(11-7-20)27(2,3)33;1-17-23(26)25(29-10-12-32-13-11-29)28-24(27-17)21-8-6-19(7-9-21)15-22(31)14-18-2-4-20(16-30)5-3-18/h4-9,14H,10-13,15-17H2,1-3H3;3-10H,11-17H2,1-2H3,(H,31,34);4-11,33H,12-17H2,1-3H3;2-9,30H,10-16H2,1H3
InChIKeyZJRGXYCRCFUBHA-UHFFFAOYSA-N
MW1927.24 g/mol
LogP13.87
Rot. Bonds29

About 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide

1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide (PubChem CID 165107481) has the molecular formula C108H115F4N13O14S and a molecular weight of 1927.24 g/mol. Its IUPAC name is 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide
PubChem CID165107481
Molecular FormulaC108H115F4N13O14S
Molecular Weight1927.24 g/mol
Exact Mass1925.83
IUPAC Name1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide
SMILESCc1nc(-c2ccc(CC(=O)Cc3ccc(C(C)(C)O)cc3)cc2)nc(N2CCOCC2)c1F.Cc1nc(-c2ccc(CC(=O)Cc3ccc(CC(=O)NS(C)(=O)=O)cc3)cc2)nc(N2CCOCC2)c1F.Cc1nc(-c2ccc(CC(=O)Cc3ccc(CO)cc3)cc2)nc(N2CCOCC2)c1F.Cc1nc(-c2ccc(CC(=O)Cc3ccc4c(c3)CC(=O)C4(C)C)cc2)nc(N2CCOCC2)c1F
InChIInChI=1S/C29H30FN3O3.C27H29FN4O5S.C27H30FN3O3.C25H26FN3O3/c1-18-26(30)28(33-10-12-36-13-11-33)32-27(31-18)21-7-4-19(5-8-21)15-23(34)16-20-6-9-24-22(14-20)17-25(35)29(24,2)3;1-18-25(28)27(32-11-13-37-14-12-32)30-26(29-18)22-9-7-20(8-10-22)16-23(33)15-19-3-5-21(6-4-19)17-24(34)31-38(2,35)36;1-18-24(28)26(31-12-14-34-15-13-31)30-25(29-18)21-8-4-19(5-9-21)16-23(32)17-20-6-10-22(11-7-20)27(2,3)33;1-17-23(26)25(29-10-12-32-13-11-29)28-24(27-17)21-8-6-19(7-9-21)15-22(31)14-18-2-4-20(16-30)5-3-18/h4-9,14H,10-13,15-17H2,1-3H3;3-10H,11-17H2,1-2H3,(H,31,34);4-11,33H,12-17H2,1-3H3;2-9,30H,10-16H2,1H3
InChIKeyZJRGXYCRCFUBHA-UHFFFAOYSA-N
XLogP13.87
TPSA342.05 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001927.24
LogP ≤ 513.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one
CID 163576990
1-[4-(hydroxymethyl)phenyl]-3-[4-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]propan-2-one
CID 158960863
2-[3-(4-fluoro-3-methoxyphenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 148853210
1-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]-3-[4-(3-morpholin-4-ylpyrazin-2-yl)phenyl]propan-2-one
CID 159497289
1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 153102403
4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid
CID 122032550
N-[4-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide
CID 86673496
N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913995
2-[3-(3,5-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158411819
1-[2-fluoro-4-(2-oxopropyl)phenyl]-3-[4-[7-[5-(1-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]urea
CID 146750282
ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 70975255
1-[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161015120

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide?
The IUPAC name of 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide (CID 165107481) is 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide.
What is the SMILES notation for 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide?
The canonical SMILES for 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide is Cc1nc(-c2ccc(CC(=O)Cc3ccc(C(C)(C)O)cc3)cc2)nc(N2CCOCC2)c1F.Cc1nc(-c2ccc(CC(=O)Cc3ccc(CC(=O)NS(C)(=O)=O)cc3)cc2)nc(N2CCOCC2)c1F.Cc1nc(-c2ccc(CC(=O)Cc3ccc(CO)cc3)cc2)nc(N2CCOCC2)c1F.Cc1nc(-c2ccc(CC(=O)Cc3ccc4c(c3)CC(=O)C4(C)C)cc2)nc(N2CCOCC2)c1F.
What is the InChIKey of 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide?
The InChIKey is ZJRGXYCRCFUBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O3.C27H29FN4O5S.C27H30FN3O3.C25H26FN3O3/c1-18-26(30)28(33-10-12-36-13-11-33)32-27(31-18)21-7-4-19(5-8-21)15-23(34)16-20-6-9-24-22(14-20)17-25(35)29(24,2)3;1-18-25(28)27(32-11-13-37-14-12-32)30-26(29-18)22-9-7-20(8-10-22)16-23(33)15-19-3-5-21(6-4-19)17-24(34)31-38(2,35)36;1-18-24(28)26(31-12-14-34-15-13-31)30-25(29-18)21-8-4-19(5-9-21)16-23(32)17-20-6-10-22(11-7-20)27(2,3)33;1-17-23(26)25(29-10-12-32-13-11-29)28-24(27-17)21-8-6-19(7-9-21)15-22(31)14-18-2-4-20(16-30)5-3-18/h4-9,14H,10-13,15-17H2,1-3H3;3-10H,11-17H2,1-2H3,(H,31,34);4-11,33H,12-17H2,1-3H3;2-9,30H,10-16H2,1H3.
What are the key properties of 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide?
1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide has a molecular weight of 1927.24 g/mol, XLogP of 13.87, 29 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one;1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-one;6-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]-3,3-dimethyl-1H-inden-2-one;2-[4-[3-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-2-oxopropyl]phenyl]-N-methylsulfonylacetamide is sourced from PubChem (CID 165107481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).