2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide

C13H21N5O — CID 50968814

IUPAC2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide
SMILESCCc1cc(NCC(N)=O)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-2-10-8-12(15-9-11(14)19)17-13(16-10)18-6-4-3-5-7-18/h8H,2-7,9H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyIVSWTPAWKOSECO-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.93
Rot. Bonds5

About 2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide

2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide (PubChem CID 50968814) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide
PubChem CID50968814
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide
SMILESCCc1cc(NCC(N)=O)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-2-10-8-12(15-9-11(14)19)17-13(16-10)18-6-4-3-5-7-18/h8H,2-7,9H2,1H3,(H2,14,19)(H,15,16,17)
InChIKeyIVSWTPAWKOSECO-UHFFFAOYSA-N
XLogP0.93
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide (CID 50968814) is 2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide is CCc1cc(NCC(N)=O)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide?
The InChIKey is IVSWTPAWKOSECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-10-8-12(15-9-11(14)19)17-13(16-10)18-6-4-3-5-7-18/h8H,2-7,9H2,1H3,(H2,14,19)(H,15,16,17).
What are the key properties of 2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide?
2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 50968814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).