2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide

C16H27N5O — CID 53189350

IUPAC2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCC(C)C)CC2)n1
InChIInChI=1S/C16H27N5O/c1-12(2)11-19-15(22)10-13-5-8-21(9-6-13)14-4-7-18-16(17-3)20-14/h4,7,12-13H,5-6,8-11H2,1-3H3,(H,19,22)(H,17,18,20)
InChIKeyCICAWNSGFNKPBU-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.90
Rot. Bonds6

About 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide

2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide (PubChem CID 53189350) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide
PubChem CID53189350
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCC(C)C)CC2)n1
InChIInChI=1S/C16H27N5O/c1-12(2)11-19-15(22)10-13-5-8-21(9-6-13)14-4-7-18-16(17-3)20-14/h4,7,12-13H,5-6,8-11H2,1-3H3,(H,19,22)(H,17,18,20)
InChIKeyCICAWNSGFNKPBU-UHFFFAOYSA-N
XLogP1.90
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide (CID 53189350) is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide is CNc1nccc(N2CCC(CC(=O)NCC(C)C)CC2)n1.
What is the InChIKey of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is CICAWNSGFNKPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12(2)11-19-15(22)10-13-5-8-21(9-6-13)14-4-7-18-16(17-3)20-14/h4,7,12-13H,5-6,8-11H2,1-3H3,(H,19,22)(H,17,18,20).
What are the key properties of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide?
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 305.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 53189350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).