ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate

C15H20N6O2 — CID 19142197

IUPACethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc(-n3ccnc3)c2N)CC1
InChIInChI=1S/C15H20N6O2/c1-2-23-15(22)11-3-6-20(7-4-11)13-12(16)14(19-9-18-13)21-8-5-17-10-21/h5,8-11H,2-4,6-7,16H2,1H3
InChIKeyUSBKNUDNMYATJB-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.02
Rot. Bonds4

About ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate

ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 19142197) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID19142197
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Nameethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc(-n3ccnc3)c2N)CC1
InChIInChI=1S/C15H20N6O2/c1-2-23-15(22)11-3-6-20(7-4-11)13-12(16)14(19-9-18-13)21-8-5-17-10-21/h5,8-11H,2-4,6-7,16H2,1H3
InChIKeyUSBKNUDNMYATJB-UHFFFAOYSA-N
XLogP1.02
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142069
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
ethyl 1-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142097
ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate
CID 58216573
ethyl 1-[5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142199
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19154022
ethyl 1-[5-amino-6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142114
ethyl 1-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142167
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
ethyl 1-[5-amino-6-(2-ethoxycarbonylanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142183

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate (CID 19142197) is ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc(-n3ccnc3)c2N)CC1.
What is the InChIKey of ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is USBKNUDNMYATJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-2-23-15(22)11-3-6-20(7-4-11)13-12(16)14(19-9-18-13)21-8-5-17-10-21/h5,8-11H,2-4,6-7,16H2,1H3.
What are the key properties of ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate?
ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 316.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 19142197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).