6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5O — CID 63220963

IUPAC6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(OCc2nc(N)c3cnn(C)c3n2)c1C
InChIInChI=1S/C15H17N5O/c1-9-5-4-6-12(10(9)2)21-8-13-18-14(16)11-7-17-20(3)15(11)19-13/h4-7H,8H2,1-3H3,(H2,16,18,19)
InChIKeyMGEGLJAOOGHOMJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.14
Rot. Bonds3

About 6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220963) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220963
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(OCc2nc(N)c3cnn(C)c3n2)c1C
InChIInChI=1S/C15H17N5O/c1-9-5-4-6-12(10(9)2)21-8-13-18-14(16)11-7-17-20(3)15(11)19-13/h4-7H,8H2,1-3H3,(H2,16,18,19)
InChIKeyMGEGLJAOOGHOMJ-UHFFFAOYSA-N
XLogP2.14
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63220963) is 6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(OCc2nc(N)c3cnn(C)c3n2)c1C.
What is the InChIKey of 6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MGEGLJAOOGHOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-5-4-6-12(10(9)2)21-8-13-18-14(16)11-7-17-20(3)15(11)19-13/h4-7H,8H2,1-3H3,(H2,16,18,19).
What are the key properties of 6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 283.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).