N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide

C17H22FN5O3S — CID 122320581

IUPACN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H22FN5O3S/c1-22(2)16-15(11-19-17(20-16)23-6-8-26-9-7-23)21-27(24,25)12-13-4-3-5-14(18)10-13/h3-5,10-11,21H,6-9,12H2,1-2H3
InChIKeyOLQPAJHOOQLVRP-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.46
Rot. Bonds6

About N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide

N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 122320581) has the molecular formula C17H22FN5O3S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID122320581
Molecular FormulaC17H22FN5O3S
Molecular Weight395.46 g/mol
Exact Mass395.14
IUPAC NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H22FN5O3S/c1-22(2)16-15(11-19-17(20-16)23-6-8-26-9-7-23)21-27(24,25)12-13-4-3-5-14(18)10-13/h3-5,10-11,21H,6-9,12H2,1-2H3
InChIKeyOLQPAJHOOQLVRP-UHFFFAOYSA-N
XLogP1.46
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide
CID 122320320
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
CID 122320340
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide
CID 122320338
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122320602
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122320596
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-methylphenyl)methanesulfonamide
CID 122319799
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122320617
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
CID 121137362
3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide
CID 91969413
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide
CID 91969406
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
CID 91969402
2-cyclopropyl-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetamide
CID 122320498

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide (CID 122320581) is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide is CN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is OLQPAJHOOQLVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3S/c1-22(2)16-15(11-19-17(20-16)23-6-8-26-9-7-23)21-27(24,25)12-13-4-3-5-14(18)10-13/h3-5,10-11,21H,6-9,12H2,1-2H3.
What are the key properties of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide?
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 122320581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).