4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine

C9H11ClN2S — CID 80977486

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine
SMILESCSc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C9H11ClN2S/c1-5-7(10)11-8(6-3-4-6)12-9(5)13-2/h6H,3-4H2,1-2H3
InChIKeyUHSNPJFTQQFRHM-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.04
Rot. Bonds2

About 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine (PubChem CID 80977486) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine
PubChem CID80977486
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine
SMILESCSc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C9H11ClN2S/c1-5-7(10)11-8(6-3-4-6)12-9(5)13-2/h6H,3-4H2,1-2H3
InChIKeyUHSNPJFTQQFRHM-UHFFFAOYSA-N
XLogP3.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine (CID 80977486) is 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine is CSc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine?
The InChIKey is UHSNPJFTQQFRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2S/c1-5-7(10)11-8(6-3-4-6)12-9(5)13-2/h6H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine has a molecular weight of 214.72 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-methylsulfanylpyrimidine is sourced from PubChem (CID 80977486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).