3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C8H11N5 — CID 57350624

IUPAC3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nn(C)c2ncnc(N)c12
InChIInChI=1S/C8H11N5/c1-3-5-6-7(9)10-4-11-8(6)13(2)12-5/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKeyFFHNPCGKJYVEIZ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.51
Rot. Bonds1

About 3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 57350624) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID57350624
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nn(C)c2ncnc(N)c12
InChIInChI=1S/C8H11N5/c1-3-5-6-7(9)10-4-11-8(6)13(2)12-5/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKeyFFHNPCGKJYVEIZ-UHFFFAOYSA-N
XLogP0.51
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 57350624) is 3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1nn(C)c2ncnc(N)c12.
What is the InChIKey of 3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FFHNPCGKJYVEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-5-6-7(9)10-4-11-8(6)13(2)12-5/h4H,3H2,1-2H3,(H2,9,10,11).
What are the key properties of 3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 177.21 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57350624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).