2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine

C11H11ClN4S — CID 45059022

IUPAC2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine
SMILESCc1cc(Sc2nc(C)cc(C)n2)nc(Cl)n1
InChIInChI=1S/C11H11ClN4S/c1-6-4-7(2)15-11(14-6)17-9-5-8(3)13-10(12)16-9/h4-5H,1-3H3
InChIKeyPUHXYHZGOBXMDL-UHFFFAOYSA-N
MW266.76 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine

2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine (PubChem CID 45059022) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine
PubChem CID45059022
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine
SMILESCc1cc(Sc2nc(C)cc(C)n2)nc(Cl)n1
InChIInChI=1S/C11H11ClN4S/c1-6-4-7(2)15-11(14-6)17-9-5-8(3)13-10(12)16-9/h4-5H,1-3H3
InChIKeyPUHXYHZGOBXMDL-UHFFFAOYSA-N
XLogP3.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine (CID 45059022) is 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine is Cc1cc(Sc2nc(C)cc(C)n2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine?
The InChIKey is PUHXYHZGOBXMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c1-6-4-7(2)15-11(14-6)17-9-5-8(3)13-10(12)16-9/h4-5H,1-3H3.
What are the key properties of 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine?
2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine has a molecular weight of 266.76 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-methylpyrimidine is sourced from PubChem (CID 45059022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).