4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine

C13H12ClN5 — CID 58316679

IUPAC4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(Cl)c2cnn(CCc3ccccc3)c2n1
InChIInChI=1S/C13H12ClN5/c14-11-10-8-16-19(12(10)18-13(15)17-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,17,18)
InChIKeyCJSVBWFEHILFHJ-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.30
Rot. Bonds3

About 4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine

4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 58316679) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID58316679
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(Cl)c2cnn(CCc3ccccc3)c2n1
InChIInChI=1S/C13H12ClN5/c14-11-10-8-16-19(12(10)18-13(15)17-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,17,18)
InChIKeyCJSVBWFEHILFHJ-UHFFFAOYSA-N
XLogP2.30
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine (CID 58316679) is 4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine is Nc1nc(Cl)c2cnn(CCc3ccccc3)c2n1.
What is the InChIKey of 4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is CJSVBWFEHILFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c14-11-10-8-16-19(12(10)18-13(15)17-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,17,18).
What are the key properties of 4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine?
4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 273.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 58316679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).