4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C14H15N5O — CID 103434577

IUPAC4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOc1c(-c2nc(N)nc3[nH]ncc23)ccc(C)c1C
InChIInChI=1S/C14H15N5O/c1-7-4-5-9(12(20-3)8(7)2)11-10-6-16-19-13(10)18-14(15)17-11/h4-6H,1-3H3,(H3,15,16,17,18,19)
InChIKeyZFPQNYDGRBNZMZ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.23
Rot. Bonds2

About 4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 103434577) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID103434577
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOc1c(-c2nc(N)nc3[nH]ncc23)ccc(C)c1C
InChIInChI=1S/C14H15N5O/c1-7-4-5-9(12(20-3)8(7)2)11-10-6-16-19-13(10)18-14(15)17-11/h4-6H,1-3H3,(H3,15,16,17,18,19)
InChIKeyZFPQNYDGRBNZMZ-UHFFFAOYSA-N
XLogP2.23
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 103434577) is 4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is COc1c(-c2nc(N)nc3[nH]ncc23)ccc(C)c1C.
What is the InChIKey of 4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is ZFPQNYDGRBNZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-7-4-5-9(12(20-3)8(7)2)11-10-6-16-19-13(10)18-14(15)17-11/h4-6H,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 269.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 103434577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).