3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C6H7N5O — CID 596791

IUPAC3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1n[nH]c2ncnc(N)c12
InChIInChI=1S/C6H7N5O/c1-12-6-3-4(7)8-2-9-5(3)10-11-6/h2H,1H3,(H3,7,8,9,10,11)
InChIKeyKJZGPWZZKMXKRV-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.06
Rot. Bonds1

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

3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 596791) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID596791
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1n[nH]c2ncnc(N)c12
InChIInChI=1S/C6H7N5O/c1-12-6-3-4(7)8-2-9-5(3)10-11-6/h2H,1H3,(H3,7,8,9,10,11)
InChIKeyKJZGPWZZKMXKRV-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 3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 596791) is 3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine is COc1n[nH]c2ncnc(N)c12.
What is the InChIKey of 3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KJZGPWZZKMXKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-12-6-3-4(7)8-2-9-5(3)10-11-6/h2H,1H3,(H3,7,8,9,10,11).
What are the key properties of 3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-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 3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 596791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).