N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C13H14N6O — CID 47149143

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc3c2cnn3C)ccn1
InChIInChI=1S/C13H14N6O/c1-19-13-10(7-18-19)12(16-8-17-13)15-6-9-3-4-14-11(5-9)20-2/h3-5,7-8H,6H2,1-2H3,(H,15,16,17)
InChIKeyOXIQGEXLNNYXCI-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.38
Rot. Bonds4

About N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 47149143) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID47149143
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc3c2cnn3C)ccn1
InChIInChI=1S/C13H14N6O/c1-19-13-10(7-18-19)12(16-8-17-13)15-6-9-3-4-14-11(5-9)20-2/h3-5,7-8H,6H2,1-2H3,(H,15,16,17)
InChIKeyOXIQGEXLNNYXCI-UHFFFAOYSA-N
XLogP1.38
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 47149143) is N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(CNc2ncnc3c2cnn3C)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OXIQGEXLNNYXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-19-13-10(7-18-19)12(16-8-17-13)15-6-9-3-4-14-11(5-9)20-2/h3-5,7-8H,6H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 270.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 47149143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).