4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

C17H20N4O2 — CID 53164786

IUPAC4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C17H20N4O2/c1-2-13-3-5-14(6-4-13)16(22)20-15-11-18-17(19-12-15)21-7-9-23-10-8-21/h3-6,11-12H,2,7-10H2,1H3,(H,20,22)
InChIKeyIGWCOCCTAPNKAL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.13
Rot. Bonds4

About 4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (PubChem CID 53164786) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
PubChem CID53164786
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C17H20N4O2/c1-2-13-3-5-14(6-4-13)16(22)20-15-11-18-17(19-12-15)21-7-9-23-10-8-21/h3-6,11-12H,2,7-10H2,1H3,(H,20,22)
InChIKeyIGWCOCCTAPNKAL-UHFFFAOYSA-N
XLogP2.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
5-bromo-N-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 53164805
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526
N-[4-[(4-ethylphenyl)carbamoyl]phenyl]morpholine-4-carboxamide
CID 110178513
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (CID 53164786) is 4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is CCc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The InChIKey is IGWCOCCTAPNKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-13-3-5-14(6-4-13)16(22)20-15-11-18-17(19-12-15)21-7-9-23-10-8-21/h3-6,11-12H,2,7-10H2,1H3,(H,20,22).
What are the key properties of 4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53164786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).