ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate

C17H24N6O3 — CID 58216573

IUPACethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc(Oc3cc(C)nn3C)c2N)CC1
InChIInChI=1S/C17H24N6O3/c1-4-25-17(24)12-5-7-23(8-6-12)15-14(18)16(20-10-19-15)26-13-9-11(2)21-22(13)3/h9-10,12H,4-8,18H2,1-3H3
InChIKeyTZOCKWNNKYSEMF-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.67
Rot. Bonds5

About ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate

ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 58216573) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID58216573
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Nameethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncnc(Oc3cc(C)nn3C)c2N)CC1
InChIInChI=1S/C17H24N6O3/c1-4-25-17(24)12-5-7-23(8-6-12)15-14(18)16(20-10-19-15)26-13-9-11(2)21-22(13)3/h9-10,12H,4-8,18H2,1-3H3
InChIKeyTZOCKWNNKYSEMF-UHFFFAOYSA-N
XLogP1.67
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate (CID 58216573) is ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncnc(Oc3cc(C)nn3C)c2N)CC1.
What is the InChIKey of ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is TZOCKWNNKYSEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-4-25-17(24)12-5-7-23(8-6-12)15-14(18)16(20-10-19-15)26-13-9-11(2)21-22(13)3/h9-10,12H,4-8,18H2,1-3H3.
What are the key properties of ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate?
ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 360.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-amino-6-(2,5-dimethylpyrazol-3-yl)oxypyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 58216573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).