4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine

C9H7ClN4S — CID 63698531

IUPAC4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
SMILESCc1nc(Cl)cc(Sc2ccncn2)n1
InChIInChI=1S/C9H7ClN4S/c1-6-13-7(10)4-9(14-6)15-8-2-3-11-5-12-8/h2-5H,1H3
InChIKeyYFLUDCZAUUDAFW-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.38
Rot. Bonds2

About 4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine

4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine (PubChem CID 63698531) has the molecular formula C9H7ClN4S and a molecular weight of 238.70 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
PubChem CID63698531
Molecular FormulaC9H7ClN4S
Molecular Weight238.70 g/mol
Exact Mass238.01
IUPAC Name4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
SMILESCc1nc(Cl)cc(Sc2ccncn2)n1
InChIInChI=1S/C9H7ClN4S/c1-6-13-7(10)4-9(14-6)15-8-2-3-11-5-12-8/h2-5H,1H3
InChIKeyYFLUDCZAUUDAFW-UHFFFAOYSA-N
XLogP2.38
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine (CID 63698531) is 4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine is Cc1nc(Cl)cc(Sc2ccncn2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine?
The InChIKey is YFLUDCZAUUDAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4S/c1-6-13-7(10)4-9(14-6)15-8-2-3-11-5-12-8/h2-5H,1H3.
What are the key properties of 4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine?
4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine has a molecular weight of 238.70 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine is sourced from PubChem (CID 63698531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).