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

C7H9N5O — CID 139493674

IUPAC3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nn(C)c2ncnc(N)c12
InChIInChI=1S/C7H9N5O/c1-12-6-4(7(11-12)13-2)5(8)9-3-10-6/h3H,1-2H3,(H2,8,9,10)
InChIKeyLHBCQUUGWMDOPO-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.05
Rot. Bonds1

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

3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 139493674) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID139493674
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nn(C)c2ncnc(N)c12
InChIInChI=1S/C7H9N5O/c1-12-6-4(7(11-12)13-2)5(8)9-3-10-6/h3H,1-2H3,(H2,8,9,10)
InChIKeyLHBCQUUGWMDOPO-UHFFFAOYSA-N
XLogP-0.05
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 139493674) is 3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COc1nn(C)c2ncnc(N)c12.
What is the InChIKey of 3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LHBCQUUGWMDOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-12-6-4(7(11-12)13-2)5(8)9-3-10-6/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 179.18 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139493674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).