1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine

C15H15N5O3 — CID 166266332

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1nc(N)nc2c1cnn2CC1COc2ccccc2O1
InChIInChI=1S/C15H15N5O3/c1-21-14-10-6-17-20(13(10)18-15(16)19-14)7-9-8-22-11-4-2-3-5-12(11)23-9/h2-6,9H,7-8H2,1H3,(H2,16,18,19)
InChIKeyOTYJGHSXZHDBRE-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.26
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 166266332) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID166266332
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1nc(N)nc2c1cnn2CC1COc2ccccc2O1
InChIInChI=1S/C15H15N5O3/c1-21-14-10-6-17-20(13(10)18-15(16)19-14)7-9-8-22-11-4-2-3-5-12(11)23-9/h2-6,9H,7-8H2,1H3,(H2,16,18,19)
InChIKeyOTYJGHSXZHDBRE-UHFFFAOYSA-N
XLogP1.26
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine (CID 166266332) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine is COc1nc(N)nc2c1cnn2CC1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is OTYJGHSXZHDBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-21-14-10-6-17-20(13(10)18-15(16)19-14)7-9-8-22-11-4-2-3-5-12(11)23-9/h2-6,9H,7-8H2,1H3,(H2,16,18,19).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 313.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 166266332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).