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

C16H16F2N4O2 — CID 91967358

IUPAC2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2N4O2/c17-12-2-1-3-13(18)14(12)15(23)20-10-11-4-5-19-16(21-11)22-6-8-24-9-7-22/h1-5H,6-10H2,(H,20,23)
InChIKeyFANOAABWAMZVDI-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.52
Rot. Bonds4

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

2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 91967358) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID91967358
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2N4O2/c17-12-2-1-3-13(18)14(12)15(23)20-10-11-4-5-19-16(21-11)22-6-8-24-9-7-22/h1-5H,6-10H2,(H,20,23)
InChIKeyFANOAABWAMZVDI-UHFFFAOYSA-N
XLogP1.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122353371
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967359
4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 122353608
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide
CID 122353411
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352101
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide (CID 91967358) is 2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1ccnc(N2CCOCC2)n1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is FANOAABWAMZVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-12-2-1-3-13(18)14(12)15(23)20-10-11-4-5-19-16(21-11)22-6-8-24-9-7-22/h1-5H,6-10H2,(H,20,23).
What are the key properties of 2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide?
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 334.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 91967358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).