3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

C17H20N4O2 — CID 53164809

IUPAC3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C17H20N4O2/c1-12-7-13(2)9-14(8-12)16(22)20-15-10-18-17(19-11-15)21-3-5-23-6-4-21/h7-11H,3-6H2,1-2H3,(H,20,22)
InChIKeyMXSVLSRKOCSBSG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.18
Rot. Bonds3

About 3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (PubChem CID 53164809) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
PubChem CID53164809
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C17H20N4O2/c1-12-7-13(2)9-14(8-12)16(22)20-15-10-18-17(19-11-15)21-3-5-23-6-4-21/h7-11H,3-6H2,1-2H3,(H,20,22)
InChIKeyMXSVLSRKOCSBSG-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (CID 53164809) is 3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2cnc(N3CCOCC3)nc2)c1.
What is the InChIKey of 3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The InChIKey is MXSVLSRKOCSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-7-13(2)9-14(8-12)16(22)20-15-10-18-17(19-11-15)21-3-5-23-6-4-21/h7-11H,3-6H2,1-2H3,(H,20,22).
What are the key properties of 3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
3,5-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 3,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53164809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).