ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate

C13H20N4O2 — CID 57168774

IUPACethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate
SMILESCCOC(=O)Nc1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C13H20N4O2/c1-3-19-13(18)16-11-9-12(15-10(2)14-11)17-7-5-4-6-8-17/h9H,3-8H2,1-2H3,(H,14,15,16,18)
InChIKeyRBOUJHIBVIDOJL-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.34
Rot. Bonds3

About ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate

ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate (PubChem CID 57168774) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate
PubChem CID57168774
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate
SMILESCCOC(=O)Nc1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C13H20N4O2/c1-3-19-13(18)16-11-9-12(15-10(2)14-11)17-7-5-4-6-8-17/h9H,3-8H2,1-2H3,(H,14,15,16,18)
InChIKeyRBOUJHIBVIDOJL-UHFFFAOYSA-N
XLogP2.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate?
The IUPAC name of ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate (CID 57168774) is ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate.
What is the SMILES notation for ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate?
The canonical SMILES for ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate is CCOC(=O)Nc1cc(N2CCCCC2)nc(C)n1.
What is the InChIKey of ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate?
The InChIKey is RBOUJHIBVIDOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-19-13(18)16-11-9-12(15-10(2)14-11)17-7-5-4-6-8-17/h9H,3-8H2,1-2H3,(H,14,15,16,18).
What are the key properties of ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate?
ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate has a molecular weight of 264.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)carbamate is sourced from PubChem (CID 57168774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).