ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate

C13H19N5O2 — CID 62006648

IUPACethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1ncnc2c1cnn2C
InChIInChI=1S/C13H19N5O2/c1-4-6-18(8-11(19)20-5-2)13-10-7-16-17(3)12(10)14-9-15-13/h7,9H,4-6,8H2,1-3H3
InChIKeyUZVUEUNTPAONED-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.14
Rot. Bonds6

About ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate

ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate (PubChem CID 62006648) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate
PubChem CID62006648
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nameethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1ncnc2c1cnn2C
InChIInChI=1S/C13H19N5O2/c1-4-6-18(8-11(19)20-5-2)13-10-7-16-17(3)12(10)14-9-15-13/h7,9H,4-6,8H2,1-3H3
InChIKeyUZVUEUNTPAONED-UHFFFAOYSA-N
XLogP1.14
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate (CID 62006648) is ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate is CCCN(CC(=O)OCC)c1ncnc2c1cnn2C.
What is the InChIKey of ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate?
The InChIKey is UZVUEUNTPAONED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-6-18(8-11(19)20-5-2)13-10-7-16-17(3)12(10)14-9-15-13/h7,9H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate?
ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate has a molecular weight of 277.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-propylamino]acetate is sourced from PubChem (CID 62006648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).