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

C14H15N5O — CID 1107332

IUPAC1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc2c(Nc3ccc(OC)cc3)ncnc21
InChIInChI=1S/C14H15N5O/c1-3-19-14-12(8-17-19)13(15-9-16-14)18-10-4-6-11(20-2)7-5-10/h4-9H,3H2,1-2H3,(H,15,16,18)
InChIKeyCBTKHYOPVKKMBN-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.60
Rot. Bonds4

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

1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 1107332) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID1107332
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1ncc2c(Nc3ccc(OC)cc3)ncnc21
InChIInChI=1S/C14H15N5O/c1-3-19-14-12(8-17-19)13(15-9-16-14)18-10-4-6-11(20-2)7-5-10/h4-9H,3H2,1-2H3,(H,15,16,18)
InChIKeyCBTKHYOPVKKMBN-UHFFFAOYSA-N
XLogP2.60
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 1107332) is 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCn1ncc2c(Nc3ccc(OC)cc3)ncnc21.
What is the InChIKey of 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CBTKHYOPVKKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-19-14-12(8-17-19)13(15-9-16-14)18-10-4-6-11(20-2)7-5-10/h4-9H,3H2,1-2H3,(H,15,16,18).
What are the key properties of 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 269.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 1107332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).