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

C7H9ClN2OS — CID 118020221

IUPAC4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine
SMILESCOc1c(C)nc(SC)nc1Cl
InChIInChI=1S/C7H9ClN2OS/c1-4-5(11-2)6(8)10-7(9-4)12-3/h1-3H3
InChIKeyFVKYLOOFXQSGND-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.17
Rot. Bonds2

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

4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine (PubChem CID 118020221) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine
PubChem CID118020221
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine
SMILESCOc1c(C)nc(SC)nc1Cl
InChIInChI=1S/C7H9ClN2OS/c1-4-5(11-2)6(8)10-7(9-4)12-3/h1-3H3
InChIKeyFVKYLOOFXQSGND-UHFFFAOYSA-N
XLogP2.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine (CID 118020221) is 4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine is COc1c(C)nc(SC)nc1Cl.
What is the InChIKey of 4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine?
The InChIKey is FVKYLOOFXQSGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-4-5(11-2)6(8)10-7(9-4)12-3/h1-3H3.
What are the key properties of 4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine?
4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine has a molecular weight of 204.68 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-6-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 118020221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).