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

C17H20N4O2 — CID 91966835

IUPACN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C17H20N4O2/c1-13-11-16(21-7-9-23-10-8-21)20-15(19-13)12-18-17(22)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,22)
InChIKeyCKPHQEXWTMUOPX-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.55
Rot. Bonds4

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

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 91966835) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID91966835
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C17H20N4O2/c1-13-11-16(21-7-9-23-10-8-21)20-15(19-13)12-18-17(22)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,22)
InChIKeyCKPHQEXWTMUOPX-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-4-pentoxybenzamide
CID 122319112
(E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide
CID 71807450
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122319061
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966839
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]naphthalene-2-carboxamide
CID 122318067

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (CID 91966835) is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is Cc1cc(N2CCOCC2)nc(CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is CKPHQEXWTMUOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-11-16(21-7-9-23-10-8-21)20-15(19-13)12-18-17(22)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,22).
What are the key properties of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 91966835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).