1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C12H11N5O — CID 24873856

IUPAC1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(N)ncnc32)cc1
InChIInChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)17-12-10(6-16-17)11(13)14-7-15-12/h2-7H,1H3,(H2,13,14,15)
InChIKeyTWRVJKDDEYQGIB-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.41
Rot. Bonds2

About 1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24873856) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24873856
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(N)ncnc32)cc1
InChIInChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)17-12-10(6-16-17)11(13)14-7-15-12/h2-7H,1H3,(H2,13,14,15)
InChIKeyTWRVJKDDEYQGIB-UHFFFAOYSA-N
XLogP1.41
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 24873856) is 1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-n2ncc3c(N)ncnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is TWRVJKDDEYQGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)17-12-10(6-16-17)11(13)14-7-15-12/h2-7H,1H3,(H2,13,14,15).
What are the key properties of 1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 241.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24873856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).