1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine

C12H19N5O3 — CID 14953171

IUPAC1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOC(Cn1ncc2c(N)nc(OC)nc21)OCC
InChIInChI=1S/C12H19N5O3/c1-4-19-9(20-5-2)7-17-11-8(6-14-17)10(13)15-12(16-11)18-3/h6,9H,4-5,7H2,1-3H3,(H2,13,15,16)
InChIKeyGHDUIWMEWRVZBG-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.82
Rot. Bonds7

About 1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine

1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 14953171) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID14953171
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOC(Cn1ncc2c(N)nc(OC)nc21)OCC
InChIInChI=1S/C12H19N5O3/c1-4-19-9(20-5-2)7-17-11-8(6-14-17)10(13)15-12(16-11)18-3/h6,9H,4-5,7H2,1-3H3,(H2,13,15,16)
InChIKeyGHDUIWMEWRVZBG-UHFFFAOYSA-N
XLogP0.82
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine (CID 14953171) is 1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine is CCOC(Cn1ncc2c(N)nc(OC)nc21)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GHDUIWMEWRVZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-4-19-9(20-5-2)7-17-11-8(6-14-17)10(13)15-12(16-11)18-3/h6,9H,4-5,7H2,1-3H3,(H2,13,15,16).
What are the key properties of 1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-6-methoxypyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 14953171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).