ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate

C13H20N4O2 — CID 142804810

IUPACethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCC(NC)CC2)nc1
InChIInChI=1S/C13H20N4O2/c1-3-19-12(18)10-8-15-13(16-9-10)17-6-4-11(14-2)5-7-17/h8-9,11,14H,3-7H2,1-2H3
InChIKeyFSDVKBCMYGLNFR-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.84
Rot. Bonds4

About ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate

ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate (PubChem CID 142804810) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate
PubChem CID142804810
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCC(NC)CC2)nc1
InChIInChI=1S/C13H20N4O2/c1-3-19-12(18)10-8-15-13(16-9-10)17-6-4-11(14-2)5-7-17/h8-9,11,14H,3-7H2,1-2H3
InChIKeyFSDVKBCMYGLNFR-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-formylpiperidin-1-yl)pyrimidine-5-carboxylate
CID 59556290
1-(5-ethoxycarbonylpyrimidin-2-yl)azetidine-3-carboxylic acid
CID 176954225
2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 175897249
ethyl 2-[4-(5-azidopyrimidin-2-yl)piperazin-1-yl]pyrimidine-5-carboxylate
CID 135372444
1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 156541249
ethyl 2-(3,3-dimethylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 170606050
ethyl 2-[4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 135372335
ethyl 2-(3-ethoxycarbonylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 58844943
ethyl 4-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 109252241
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 2-[4-[[methyl-[(E)-4-phenylbut-3-en-2-yl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
CID 143330581
ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate
CID 59785799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate (CID 142804810) is ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CCC(NC)CC2)nc1.
What is the InChIKey of ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate?
The InChIKey is FSDVKBCMYGLNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-19-12(18)10-8-15-13(16-9-10)17-6-4-11(14-2)5-7-17/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate?
ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate is sourced from PubChem (CID 142804810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).