2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide

C20H24FN5O3 — CID 91967565

IUPAC2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cc(CNC(=O)CN(C)C(=O)c2ccccc2F)nc(N2CCOCC2)n1
InChIInChI=1S/C20H24FN5O3/c1-14-11-15(24-20(23-14)26-7-9-29-10-8-26)12-22-18(27)13-25(2)19(28)16-5-3-4-6-17(16)21/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,27)
InChIKeyVNEIAVKTIUULQJ-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.15
Rot. Bonds6

About 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide

2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 91967565) has the molecular formula C20H24FN5O3 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID91967565
Molecular FormulaC20H24FN5O3
Molecular Weight401.44 g/mol
Exact Mass401.19
IUPAC Name2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cc(CNC(=O)CN(C)C(=O)c2ccccc2F)nc(N2CCOCC2)n1
InChIInChI=1S/C20H24FN5O3/c1-14-11-15(24-20(23-14)26-7-9-29-10-8-26)12-22-18(27)13-25(2)19(28)16-5-3-4-6-17(16)21/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,27)
InChIKeyVNEIAVKTIUULQJ-UHFFFAOYSA-N
XLogP1.15
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 91967478
2-indol-1-yl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 122353777
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
2-(1H-indol-3-yl)-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 91967492
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 72718392
2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457
N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731245
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353652
5-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122353746

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide (CID 91967565) is 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide is Cc1cc(CNC(=O)CN(C)C(=O)c2ccccc2F)nc(N2CCOCC2)n1.
What is the InChIKey of 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is VNEIAVKTIUULQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O3/c1-14-11-15(24-20(23-14)26-7-9-29-10-8-26)12-22-18(27)13-25(2)19(28)16-5-3-4-6-17(16)21/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,27).
What are the key properties of 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide?
2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[2-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 91967565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).