2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide

C23H24FN5O2 — CID 122297275

IUPAC2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCc1nc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H24FN5O2/c1-16-25-21(15-22(26-16)29-10-12-31-13-11-29)27-19-6-8-20(9-7-19)28-23(30)14-17-2-4-18(24)5-3-17/h2-9,15H,10-14H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyKMHPPVXYXVLNHM-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.69
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 122297275) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID122297275
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCc1nc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H24FN5O2/c1-16-25-21(15-22(26-16)29-10-12-31-13-11-29)27-19-6-8-20(9-7-19)28-23(30)14-17-2-4-18(24)5-3-17/h2-9,15H,10-14H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyKMHPPVXYXVLNHM-UHFFFAOYSA-N
XLogP3.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297387
2-(4-fluorophenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 70703585
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 122297260
3-cyclopentyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122297331
3-(3-chlorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122297405
1-(2-fluorophenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748155
2,4,5-trifluoro-3-methoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122297414
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122297365
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 122297382
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054
2-(4-fluorophenyl)-N-(6-morpholin-4-ylpyridazin-3-yl)acetamide
CID 113039673
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122297288

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide (CID 122297275) is 2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide is Cc1nc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is KMHPPVXYXVLNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-16-25-21(15-22(26-16)29-10-12-31-13-11-29)27-19-6-8-20(9-7-19)28-23(30)14-17-2-4-18(24)5-3-17/h2-9,15H,10-14H2,1H3,(H,28,30)(H,25,26,27).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 421.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122297275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).