2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine

C11H11ClN4S — CID 55229138

IUPAC2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Sc2ncnc(Cl)c2C)n1
InChIInChI=1S/C11H11ClN4S/c1-6-4-7(2)16-11(15-6)17-10-8(3)9(12)13-5-14-10/h4-5H,1-3H3
InChIKeyCIQMIBNLNYODON-UHFFFAOYSA-N
MW266.76 g/mol
LogP3.00
Rot. Bonds2

About 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine

2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine (PubChem CID 55229138) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine
PubChem CID55229138
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(Sc2ncnc(Cl)c2C)n1
InChIInChI=1S/C11H11ClN4S/c1-6-4-7(2)16-11(15-6)17-10-8(3)9(12)13-5-14-10/h4-5H,1-3H3
InChIKeyCIQMIBNLNYODON-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-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine?
The IUPAC name of 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine (CID 55229138) is 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine is Cc1cc(C)nc(Sc2ncnc(Cl)c2C)n1.
What is the InChIKey of 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine?
The InChIKey is CIQMIBNLNYODON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c1-6-4-7(2)16-11(15-6)17-10-8(3)9(12)13-5-14-10/h4-5H,1-3H3.
What are the key properties of 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine?
2-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine 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-(6-chloro-5-methylpyrimidin-4-yl)sulfanyl-4,6-dimethylpyrimidine is sourced from PubChem (CID 55229138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).