2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine

C9H9ClN4S — CID 62482003

IUPAC2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine
SMILESCc1cc(Sc2cnn(C)c2)nc(Cl)n1
InChIInChI=1S/C9H9ClN4S/c1-6-3-8(13-9(10)12-6)15-7-4-11-14(2)5-7/h3-5H,1-2H3
InChIKeyJONOEJXIHONWFW-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.32
Rot. Bonds2

About 2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine

2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine (PubChem CID 62482003) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine
PubChem CID62482003
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine
SMILESCc1cc(Sc2cnn(C)c2)nc(Cl)n1
InChIInChI=1S/C9H9ClN4S/c1-6-3-8(13-9(10)12-6)15-7-4-11-14(2)5-7/h3-5H,1-2H3
InChIKeyJONOEJXIHONWFW-UHFFFAOYSA-N
XLogP2.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine?
The IUPAC name of 2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine (CID 62482003) is 2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine?
The canonical SMILES for 2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine is Cc1cc(Sc2cnn(C)c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine?
The InChIKey is JONOEJXIHONWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-6-3-8(13-9(10)12-6)15-7-4-11-14(2)5-7/h3-5H,1-2H3.
What are the key properties of 2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine?
2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine has a molecular weight of 240.72 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidine is sourced from PubChem (CID 62482003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).