3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C16H19N5O2 — CID 24905178

IUPAC3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1OC
InChIInChI=1S/C16H19N5O2/c1-9(2)21-16-12(15(17)18-8-19-16)13(20-21)10-6-5-7-11(22-3)14(10)23-4/h5-9H,1-4H3,(H2,17,18,19)
InChIKeyZXLCCABWVQDAOS-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.67
Rot. Bonds4

About 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905178) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905178
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1OC
InChIInChI=1S/C16H19N5O2/c1-9(2)21-16-12(15(17)18-8-19-16)13(20-21)10-6-5-7-11(22-3)14(10)23-4/h5-9H,1-4H3,(H2,17,18,19)
InChIKeyZXLCCABWVQDAOS-UHFFFAOYSA-N
XLogP2.67
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905178) is 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZXLCCABWVQDAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-9(2)21-16-12(15(17)18-8-19-16)13(20-21)10-6-5-7-11(22-3)14(10)23-4/h5-9H,1-4H3,(H2,17,18,19).
What are the key properties of 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 313.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).