7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine

C11H8ClN5S — CID 169291427

IUPAC7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCSc1nccc(-c2cc(Cl)n3nccc3n2)n1
InChIInChI=1S/C11H8ClN5S/c1-18-11-13-4-2-7(16-11)8-6-9(12)17-10(15-8)3-5-14-17/h2-6H,1H3
InChIKeyKVNUQANEWRZWGQ-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.56
Rot. Bonds2

About 7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine

7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 169291427) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID169291427
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCSc1nccc(-c2cc(Cl)n3nccc3n2)n1
InChIInChI=1S/C11H8ClN5S/c1-18-11-13-4-2-7(16-11)8-6-9(12)17-10(15-8)3-5-14-17/h2-6H,1H3
InChIKeyKVNUQANEWRZWGQ-UHFFFAOYSA-N
XLogP2.56
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine (CID 169291427) is 7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine is CSc1nccc(-c2cc(Cl)n3nccc3n2)n1.
What is the InChIKey of 7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KVNUQANEWRZWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c1-18-11-13-4-2-7(16-11)8-6-9(12)17-10(15-8)3-5-14-17/h2-6H,1H3.
What are the key properties of 7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 277.74 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 169291427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).