1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine

C10H15N5O2 — CID 67144529

IUPAC1-ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC1=NC(=C2C(=N1)N(N=C2OC)OCC)N
InChIInChI=1S/C10H15N5O2/c1-4-6-12-8(11)7-9(13-6)15(17-5-2)14-10(7)16-3/h4-5H2,1-3H3,(H2,11,12,13)
InChIKeyOZIUWVMTTPARRQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.70
Rot. Bonds4

About 1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine

1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 67144529) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID67144529
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC1=NC(=C2C(=N1)N(N=C2OC)OCC)N
InChIInChI=1S/C10H15N5O2/c1-4-6-12-8(11)7-9(13-6)15(17-5-2)14-10(7)16-3/h4-5H2,1-3H3,(H2,11,12,13)
InChIKeyOZIUWVMTTPARRQ-UHFFFAOYSA-N
XLogP1.70
TPSA88.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity255

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine (CID 67144529) is 1-ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine is CCC1=NC(=C2C(=N1)N(N=C2OC)OCC)N.
What is the InChIKey of 1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OZIUWVMTTPARRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-4-6-12-8(11)7-9(13-6)15(17-5-2)14-10(7)16-3/h4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 237.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Ethoxy-6-ethyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 67144529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).