ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate

C12H16N4O2 — CID 55234827

IUPACethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cnc2cc(C)nn2c1
InChIInChI=1S/C12H16N4O2/c1-3-18-12(17)7-13-5-10-6-14-11-4-9(2)15-16(11)8-10/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyVZMDKTOLSQRVFP-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.69
Rot. Bonds5

About ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate

ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate (PubChem CID 55234827) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate
PubChem CID55234827
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nameethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cnc2cc(C)nn2c1
InChIInChI=1S/C12H16N4O2/c1-3-18-12(17)7-13-5-10-6-14-11-4-9(2)15-16(11)8-10/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyVZMDKTOLSQRVFP-UHFFFAOYSA-N
XLogP0.69
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate (CID 55234827) is ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate is CCOC(=O)CNCc1cnc2cc(C)nn2c1.
What is the InChIKey of ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate?
The InChIKey is VZMDKTOLSQRVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-18-12(17)7-13-5-10-6-14-11-4-9(2)15-16(11)8-10/h4,6,8,13H,3,5,7H2,1-2H3.
What are the key properties of ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate?
ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate has a molecular weight of 248.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate is sourced from PubChem (CID 55234827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).