2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide

C19H23FN6O2 — CID 121016914

IUPAC2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
SMILESO=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccccc1F
InChIInChI=1S/C19H23FN6O2/c20-15-6-2-1-5-14(15)17(27)21-13-16-22-18(25-7-3-4-8-25)24-19(23-16)26-9-11-28-12-10-26/h1-2,5-6H,3-4,7-13H2,(H,21,27)
InChIKeyBWMNPSLFABCLLJ-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.38
Rot. Bonds5

About 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide

2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide (PubChem CID 121016914) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
PubChem CID121016914
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
SMILESO=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccccc1F
InChIInChI=1S/C19H23FN6O2/c20-15-6-2-1-5-14(15)17(27)21-13-16-22-18(25-7-3-4-8-25)24-19(23-16)26-9-11-28-12-10-26/h1-2,5-6H,3-4,7-13H2,(H,21,27)
InChIKeyBWMNPSLFABCLLJ-UHFFFAOYSA-N
XLogP1.38
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide with MolForge

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Related Compounds

N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-phenylbenzamide
CID 122254981
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]pyridine-2-carboxamide
CID 122255004
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
2-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255058
2-(2,4-difluorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122255103
2-chloro-N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-fluorobenzamide
CID 122255172
2,5-dichloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
CID 121138152
3-methoxy-1-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]pyrazole-4-carboxamide
CID 122255083
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122254955
2-chloro-N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-6-fluorobenzamide
CID 122254715
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclopropanecarboxamide
CID 122255008

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide (CID 121016914) is 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide is O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The InChIKey is BWMNPSLFABCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c20-15-6-2-1-5-14(15)17(27)21-13-16-22-18(25-7-3-4-8-25)24-19(23-16)26-9-11-28-12-10-26/h1-2,5-6H,3-4,7-13H2,(H,21,27).
What are the key properties of 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide has a molecular weight of 386.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide is sourced from PubChem (CID 121016914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).