2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C19H32N6O2 — CID 53189382

IUPAC2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCCN3CCOCC3)CC2)n1
InChIInChI=1S/C19H32N6O2/c1-20-19-22-7-3-17(23-19)25-9-4-16(5-10-25)15-18(26)21-6-2-8-24-11-13-27-14-12-24/h3,7,16H,2,4-6,8-15H2,1H3,(H,21,26)(H,20,22,23)
InChIKeyUEGDEKMJMSQBJO-UHFFFAOYSA-N
MW376.51 g/mol
LogP0.96
Rot. Bonds8

About 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 53189382) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID53189382
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCCN3CCOCC3)CC2)n1
InChIInChI=1S/C19H32N6O2/c1-20-19-22-7-3-17(23-19)25-9-4-16(5-10-25)15-18(26)21-6-2-8-24-11-13-27-14-12-24/h3,7,16H,2,4-6,8-15H2,1H3,(H,21,26)(H,20,22,23)
InChIKeyUEGDEKMJMSQBJO-UHFFFAOYSA-N
XLogP0.96
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 53189382) is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is CNc1nccc(N2CCC(CC(=O)NCCCN3CCOCC3)CC2)n1.
What is the InChIKey of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is UEGDEKMJMSQBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-20-19-22-7-3-17(23-19)25-9-4-16(5-10-25)15-18(26)21-6-2-8-24-11-13-27-14-12-24/h3,7,16H,2,4-6,8-15H2,1H3,(H,21,26)(H,20,22,23).
What are the key properties of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 376.51 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 53189382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).