ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate

C13H20N4O2 — CID 122281740

IUPACethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(NC)ncn2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-19-13(18)10-4-6-17(7-5-10)12-8-11(14-2)15-9-16-12/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyWYFRWHARVGZXLP-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.30
Rot. Bonds4

About ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate

ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 122281740) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID122281740
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(NC)ncn2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-19-13(18)10-4-6-17(7-5-10)12-8-11(14-2)15-9-16-12/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyWYFRWHARVGZXLP-UHFFFAOYSA-N
XLogP1.30
TPSA67.35 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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
cis-ethyl (1R,3S)-3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 154755479
ethyl 1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849604
ethyl 1-[6-(2-methylpropyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849766
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
ethyl 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126850161
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-[6-(3-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42872770
1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80799616
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate (CID 122281740) is ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(NC)ncn2)CC1.
What is the InChIKey of ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is WYFRWHARVGZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-19-13(18)10-4-6-17(7-5-10)12-8-11(14-2)15-9-16-12/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate?
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 122281740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).