ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate

C9H11N5O2 — CID 118732282

IUPACethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N)nc2nn(C)cc12
InChIInChI=1S/C9H11N5O2/c1-3-16-8(15)6-5-4-14(2)13-7(5)12-9(10)11-6/h4H,3H2,1-2H3,(H2,10,12,13)
InChIKeyNZZYUVRHXWKSFB-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.12
Rot. Bonds2

About ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate

ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate (PubChem CID 118732282) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate
PubChem CID118732282
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Nameethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N)nc2nn(C)cc12
InChIInChI=1S/C9H11N5O2/c1-3-16-8(15)6-5-4-14(2)13-7(5)12-9(10)11-6/h4H,3H2,1-2H3,(H2,10,12,13)
InChIKeyNZZYUVRHXWKSFB-UHFFFAOYSA-N
XLogP0.12
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate (CID 118732282) is ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate is CCOC(=O)c1nc(N)nc2nn(C)cc12.
What is the InChIKey of ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate?
The InChIKey is NZZYUVRHXWKSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-3-16-8(15)6-5-4-14(2)13-7(5)12-9(10)11-6/h4H,3H2,1-2H3,(H2,10,12,13).
What are the key properties of ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate?
ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 118732282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).