4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C6H7N5O — CID 11252197

IUPAC4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C6H7N5O/c1-12-5-3-2-8-11-4(3)9-6(7)10-5/h2H,1H3,(H3,7,8,9,10,11)
InChIKeyJGSDDGDWMGPLPH-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.06
Rot. Bonds1

About 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 11252197) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID11252197
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C6H7N5O/c1-12-5-3-2-8-11-4(3)9-6(7)10-5/h2H,1H3,(H3,7,8,9,10,11)
InChIKeyJGSDDGDWMGPLPH-UHFFFAOYSA-N
XLogP-0.06
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 11252197) is 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine is COc1nc(N)nc2[nH]ncc12.
What is the InChIKey of 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is JGSDDGDWMGPLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-12-5-3-2-8-11-4(3)9-6(7)10-5/h2H,1H3,(H3,7,8,9,10,11).
What are the key properties of 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 165.16 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 11252197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).