4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine

C8H7ClN4S — CID 121232259

IUPAC4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2cn[nH]c2Cl)n1
InChIInChI=1S/C8H7ClN4S/c1-14-8-10-3-2-6(12-8)5-4-11-13-7(5)9/h2-4H,1H3,(H,11,13)
InChIKeyNOOKMCUJOUQQSI-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.24
Rot. Bonds2

About 4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine

4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine (PubChem CID 121232259) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is 4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine
PubChem CID121232259
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2cn[nH]c2Cl)n1
InChIInChI=1S/C8H7ClN4S/c1-14-8-10-3-2-6(12-8)5-4-11-13-7(5)9/h2-4H,1H3,(H,11,13)
InChIKeyNOOKMCUJOUQQSI-UHFFFAOYSA-N
XLogP2.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-2-methylsulfanylpyrimidine
CID 57263424
ethane;4-(4-iodo-1H-pyrazol-5-yl)-2-methylsulfanylpyrimidine
CID 90715580
4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-methylsulfanylpyrimidine
CID 50899517
4-(2-methylphenyl)-2-methylsulfanylpyrimidine
CID 71185326
[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol
CID 56722954
2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine
CID 22037213
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine
CID 71628469
6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
CID 57478198
7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole
CID 70313324
2-methyl-7-(2-methylsulfanylpyrimidin-4-yl)cyclohepta-2,4,6-trien-1-one
CID 174169434
4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole
CID 42609102
ethane;3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 91440821

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine (CID 121232259) is 4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine is CSc1nccc(-c2cn[nH]c2Cl)n1.
What is the InChIKey of 4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine?
The InChIKey is NOOKMCUJOUQQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c1-14-8-10-3-2-6(12-8)5-4-11-13-7(5)9/h2-4H,1H3,(H,11,13).
What are the key properties of 4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine?
4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine has a molecular weight of 226.69 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-pyrazol-4-yl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 121232259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).