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

C19H22N4O3 — CID 122319165

IUPAC4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H22N4O3/c1-13-11-18(23-7-9-26-10-8-23)22-17(21-13)12-20-19(25)16-5-3-15(4-6-16)14(2)24/h3-6,11H,7-10,12H2,1-2H3,(H,20,25)
InChIKeyUDQZTHWSTQYIHM-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.75
Rot. Bonds5

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

4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 122319165) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID122319165
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H22N4O3/c1-13-11-18(23-7-9-26-10-8-23)22-17(21-13)12-20-19(25)16-5-3-15(4-6-16)14(2)24/h3-6,11H,7-10,12H2,1-2H3,(H,20,25)
InChIKeyUDQZTHWSTQYIHM-UHFFFAOYSA-N
XLogP1.75
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319182
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide
CID 122319112
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
6-cyclopentyloxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122319156
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazine-2-carboxamide
CID 72718138
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318023
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (CID 122319165) is 4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is CC(=O)c1ccc(C(=O)NCc2nc(C)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is UDQZTHWSTQYIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-11-18(23-7-9-26-10-8-23)22-17(21-13)12-20-19(25)16-5-3-15(4-6-16)14(2)24/h3-6,11H,7-10,12H2,1-2H3,(H,20,25).
What are the key properties of 4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 122319165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).