1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one

C25H26FN3O3 — CID 163576990

IUPAC1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one
SMILESCc1nc(-c2ccc(CC(=O)Cc3ccc(CO)cc3)cc2)nc(N2CCOCC2)c1F
InChIInChI=1S/C25H26FN3O3/c1-17-23(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/h2-9,30H,10-16H2,1H3
InChIKeyYLMZCFZVONVDDH-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.27
Rot. Bonds7

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-(hydroxymethyl)phenyl]propan-2-one (PubChem CID 163576990) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 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.

Molecular Properties

Compound Name1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one
PubChem CID163576990
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one
SMILESCc1nc(-c2ccc(CC(=O)Cc3ccc(CO)cc3)cc2)nc(N2CCOCC2)c1F
InChIInChI=1S/C25H26FN3O3/c1-17-23(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/h2-9,30H,10-16H2,1H3
InChIKeyYLMZCFZVONVDDH-UHFFFAOYSA-N
XLogP3.27
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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;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
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
1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 159675177
1-[4-(hydroxymethyl)phenyl]-3-[4-(7-iodophosphanyl-6-morpholin-4-ylpurin-2-yl)phenyl]urea
CID 167209468
1-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]-3-[4-(3-morpholin-4-ylpyrazin-2-yl)phenyl]propan-2-one
CID 159497289
N-ethyl-2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]acetamide
CID 158992814
(4-morpholin-4-ylphenyl)methanol
CID 2776456
2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965
1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl]urea
CID 91294724
1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 153102403
[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
CID 67297519
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130

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?
The IUPAC name of 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one (CID 163576990) is 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one.
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?
The canonical SMILES for 1-[4-(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(hydroxymethyl)phenyl]propan-2-one is Cc1nc(-c2ccc(CC(=O)Cc3ccc(CO)cc3)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?
The InChIKey is YLMZCFZVONVDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-17-23(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/h2-9,30H,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-(hydroxymethyl)phenyl]propan-2-one has a molecular weight of 435.50 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 163576990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).