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

C16H17FN4O2 — CID 91966739

IUPAC4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O2/c17-13-3-1-12(2-4-13)16(22)19-11-14-18-6-5-15(20-14)21-7-9-23-10-8-21/h1-6H,7-11H2,(H,19,22)
InChIKeyJELUYUQDDJHRBL-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.38
Rot. Bonds4

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

4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 91966739) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID91966739
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O2/c17-13-3-1-12(2-4-13)16(22)19-11-14-18-6-5-15(20-14)21-7-9-23-10-8-21/h1-6H,7-11H2,(H,19,22)
InChIKeyJELUYUQDDJHRBL-UHFFFAOYSA-N
XLogP1.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318892
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122318739
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122317464
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122318833
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
CID 122318827

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (CID 91966739) is 4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is O=C(NCc1nccc(N2CCOCC2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is JELUYUQDDJHRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-13-3-1-12(2-4-13)16(22)19-11-14-18-6-5-15(20-14)21-7-9-23-10-8-21/h1-6H,7-11H2,(H,19,22).
What are the key properties of 4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 316.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 91966739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).