2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

C17H20N4O2 — CID 53164782

IUPAC2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C17H20N4O2/c1-12-3-4-13(2)15(9-12)16(22)20-14-10-18-17(19-11-14)21-5-7-23-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,20,22)
InChIKeyRQSKGCFPVYVGRX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.18
Rot. Bonds3

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

2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (PubChem CID 53164782) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
PubChem CID53164782
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C17H20N4O2/c1-12-3-4-13(2)15(9-12)16(22)20-14-10-18-17(19-11-14)21-5-7-23-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,20,22)
InChIKeyRQSKGCFPVYVGRX-UHFFFAOYSA-N
XLogP2.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164826
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
2-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299045
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967930
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967927
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122356474
5-bromo-N-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 53164805

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (CID 53164782) is 2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is Cc1ccc(C)c(C(=O)Nc2cnc(N3CCOCC3)nc2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The InChIKey is RQSKGCFPVYVGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-3-4-13(2)15(9-12)16(22)20-14-10-18-17(19-11-14)21-5-7-23-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,20,22).
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53164782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).