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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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227530
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 6539528

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).