ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate

C15H24N4O2 — CID 95190575

IUPACethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1c1cc(CCN)nc(C)n1
InChIInChI=1S/C15H24N4O2/c1-3-21-15(20)13-6-4-5-9-19(13)14-10-12(7-8-16)17-11(2)18-14/h10,13H,3-9,16H2,1-2H3/t13-/m0/s1
InChIKeyFGCKHPNHVHESBP-ZDUSSCGKSA-N
MW292.38 g/mol
LogP1.21
Rot. Bonds5

About ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate

ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate (PubChem CID 95190575) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate
PubChem CID95190575
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1c1cc(CCN)nc(C)n1
InChIInChI=1S/C15H24N4O2/c1-3-21-15(20)13-6-4-5-9-19(13)14-10-12(7-8-16)17-11(2)18-14/h10,13H,3-9,16H2,1-2H3/t13-/m0/s1
InChIKeyFGCKHPNHVHESBP-ZDUSSCGKSA-N
XLogP1.21
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate (CID 95190575) is ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1c1cc(CCN)nc(C)n1.
What is the InChIKey of ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate?
The InChIKey is FGCKHPNHVHESBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-21-15(20)13-6-4-5-9-19(13)14-10-12(7-8-16)17-11(2)18-14/h10,13H,3-9,16H2,1-2H3/t13-/m0/s1.
What are the key properties of ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate?
ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate is sourced from PubChem (CID 95190575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).