2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine

C8H12N2O2S — CID 13470317

IUPAC2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine
SMILESCOc1nc(OC)c(C)c(SC)n1
InChIInChI=1S/C8H12N2O2S/c1-5-6(11-2)9-8(12-3)10-7(5)13-4/h1-4H3
InChIKeyKOELMHGQMIQRPV-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.52
Rot. Bonds3

About 2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine

2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine (PubChem CID 13470317) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine
PubChem CID13470317
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine
SMILESCOc1nc(OC)c(C)c(SC)n1
InChIInChI=1S/C8H12N2O2S/c1-5-6(11-2)9-8(12-3)10-7(5)13-4/h1-4H3
InChIKeyKOELMHGQMIQRPV-UHFFFAOYSA-N
XLogP1.52
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine?
The IUPAC name of 2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine (CID 13470317) is 2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine is COc1nc(OC)c(C)c(SC)n1.
What is the InChIKey of 2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine?
The InChIKey is KOELMHGQMIQRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-6(11-2)9-8(12-3)10-7(5)13-4/h1-4H3.
What are the key properties of 2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine?
2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine has a molecular weight of 200.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine is sourced from PubChem (CID 13470317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).