ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate

C13H20N4O2 — CID 21306954

IUPACethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C13H20N4O2/c1-2-19-12(18)11-3-5-17(6-4-11)9-10-7-15-13(14)16-8-10/h7-8,11H,2-6,9H2,1H3,(H2,14,15,16)
InChIKeyWDBCXXDFLKWGJY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.83
Rot. Bonds4

About ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate (PubChem CID 21306954) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate
PubChem CID21306954
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C13H20N4O2/c1-2-19-12(18)11-3-5-17(6-4-11)9-10-7-15-13(14)16-8-10/h7-8,11H,2-6,9H2,1H3,(H2,14,15,16)
InChIKeyWDBCXXDFLKWGJY-UHFFFAOYSA-N
XLogP0.83
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate (CID 21306954) is ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cnc(N)nc2)CC1.
What is the InChIKey of ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate?
The InChIKey is WDBCXXDFLKWGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-19-12(18)11-3-5-17(6-4-11)9-10-7-15-13(14)16-8-10/h7-8,11H,2-6,9H2,1H3,(H2,14,15,16).
What are the key properties of ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 21306954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).