4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine

C8H11ClN2OS — CID 80544642

IUPAC4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine
SMILESCSc1nc(Cl)cc(OC(C)C)n1
InChIInChI=1S/C8H11ClN2OS/c1-5(2)12-7-4-6(9)10-8(11-7)13-3/h4-5H,1-3H3
InChIKeyZBUOQUXJFPPDOK-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.64
Rot. Bonds3

About 4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine

4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine (PubChem CID 80544642) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine
PubChem CID80544642
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine
SMILESCSc1nc(Cl)cc(OC(C)C)n1
InChIInChI=1S/C8H11ClN2OS/c1-5(2)12-7-4-6(9)10-8(11-7)13-3/h4-5H,1-3H3
InChIKeyZBUOQUXJFPPDOK-UHFFFAOYSA-N
XLogP2.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine (CID 80544642) is 4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine is CSc1nc(Cl)cc(OC(C)C)n1.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine?
The InChIKey is ZBUOQUXJFPPDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-5(2)12-7-4-6(9)10-8(11-7)13-3/h4-5H,1-3H3.
What are the key properties of 4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine?
4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine has a molecular weight of 218.71 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 80544642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).