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

C17H19FN4O2 — CID 91966848

IUPAC2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2F)n1
InChIInChI=1S/C17H19FN4O2/c1-12-10-16(22-6-8-24-9-7-22)21-15(20-12)11-19-17(23)13-4-2-3-5-14(13)18/h2-5,10H,6-9,11H2,1H3,(H,19,23)
InChIKeyJNEOMVLTMYKVPP-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.69
Rot. Bonds4

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

2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 91966848) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID91966848
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2F)n1
InChIInChI=1S/C17H19FN4O2/c1-12-10-16(22-6-8-24-9-7-22)21-15(20-12)11-19-17(23)13-4-2-3-5-14(13)18/h2-5,10H,6-9,11H2,1H3,(H,19,23)
InChIKeyJNEOMVLTMYKVPP-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966839
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121016914
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122319061
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122317676
1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 122318998
(E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide
CID 71807450
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318276

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (CID 91966848) is 2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2F)n1.
What is the InChIKey of 2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is JNEOMVLTMYKVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12-10-16(22-6-8-24-9-7-22)21-15(20-12)11-19-17(23)13-4-2-3-5-14(13)18/h2-5,10H,6-9,11H2,1H3,(H,19,23).
What are the key properties of 2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 330.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 91966848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).