4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine

C8H11ClN2S — CID 63731443

IUPAC4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine
SMILESCc1c(Cl)ncnc1SC(C)C
InChIInChI=1S/C8H11ClN2S/c1-5(2)12-8-6(3)7(9)10-4-11-8/h4-5H,1-3H3
InChIKeyJEQXOUPSFZHSGN-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.94
Rot. Bonds2

About 4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine

4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine (PubChem CID 63731443) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine
PubChem CID63731443
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine
SMILESCc1c(Cl)ncnc1SC(C)C
InChIInChI=1S/C8H11ClN2S/c1-5(2)12-8-6(3)7(9)10-4-11-8/h4-5H,1-3H3
InChIKeyJEQXOUPSFZHSGN-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine (CID 63731443) is 4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine is Cc1c(Cl)ncnc1SC(C)C.
What is the InChIKey of 4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine?
The InChIKey is JEQXOUPSFZHSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-5(2)12-8-6(3)7(9)10-4-11-8/h4-5H,1-3H3.
What are the key properties of 4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine?
4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine has a molecular weight of 202.71 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-propan-2-ylsulfanylpyrimidine is sourced from PubChem (CID 63731443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).