1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine

C14H14N4S — CID 864540

IUPAC1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESCC(C)Sc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C14H14N4S/c1-10(2)19-14-12-8-17-18(13(12)15-9-16-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyFKDQWKDZWDEGGA-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.32
Rot. Bonds3

About 1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine

1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine (PubChem CID 864540) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine
PubChem CID864540
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine
SMILESCC(C)Sc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C14H14N4S/c1-10(2)19-14-12-8-17-18(13(12)15-9-16-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyFKDQWKDZWDEGGA-UHFFFAOYSA-N
XLogP3.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine (CID 864540) is 1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine is CC(C)Sc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine?
The InChIKey is FKDQWKDZWDEGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10(2)19-14-12-8-17-18(13(12)15-9-16-14)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine?
1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine has a molecular weight of 270.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 864540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).