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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Related Compounds

4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline
CID 143294265
6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
CID 57478198
2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 169291434
7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 86608000
7-chloro-5-(4-isocyanophenyl)pyrazolo[1,5-a]pyrimidine
CID 21065742
4-(2-chlorophenyl)-2-methylsulfanylpyrimidine
CID 57263424
4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine
CID 121232259
7-chloro-5-(2,3-dichlorocyclohepta-1,3,6-trien-1-yl)pyrazolo[1,5-a]pyrimidine
CID 143067621
7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 129393998
7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine
CID 170418328
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217
7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine
CID 170418200

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).