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

C19H24N4O3 — CID 90491617

IUPAC2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
SMILESCc1nc(OCCNC(=O)c2ccccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C19H24N4O3/c1-14-5-3-4-6-16(14)19(24)20-7-10-26-18-13-17(21-15(2)22-18)23-8-11-25-12-9-23/h3-6,13H,7-12H2,1-2H3,(H,20,24)
InChIKeyHRLPMEUULQRIDD-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.74
Rot. Bonds6

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

2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide (PubChem CID 90491617) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
PubChem CID90491617
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
SMILESCc1nc(OCCNC(=O)c2ccccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C19H24N4O3/c1-14-5-3-4-6-16(14)19(24)20-7-10-26-18-13-17(21-15(2)22-18)23-8-11-25-12-9-23/h3-6,13H,7-12H2,1-2H3,(H,20,24)
InChIKeyHRLPMEUULQRIDD-UHFFFAOYSA-N
XLogP1.74
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide (CID 90491617) is 2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide is Cc1nc(OCCNC(=O)c2ccccc2C)cc(N2CCOCC2)n1.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide?
The InChIKey is HRLPMEUULQRIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-5-3-4-6-16(14)19(24)20-7-10-26-18-13-17(21-15(2)22-18)23-8-11-25-12-9-23/h3-6,13H,7-12H2,1-2H3,(H,20,24).
What are the key properties of 2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide?
2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide is sourced from PubChem (CID 90491617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).