4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine

C8H12N2O2S — CID 57451387

IUPAC4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine
SMILESCOc1cnc(CSC)nc1OC
InChIInChI=1S/C8H12N2O2S/c1-11-6-4-9-7(5-13-3)10-8(6)12-2/h4H,5H2,1-3H3
InChIKeyZLGDNXGWDLJEIT-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.36
Rot. Bonds4

About 4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine

4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine (PubChem CID 57451387) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine
PubChem CID57451387
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine
SMILESCOc1cnc(CSC)nc1OC
InChIInChI=1S/C8H12N2O2S/c1-11-6-4-9-7(5-13-3)10-8(6)12-2/h4H,5H2,1-3H3
InChIKeyZLGDNXGWDLJEIT-UHFFFAOYSA-N
XLogP1.36
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine?
The IUPAC name of 4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine (CID 57451387) is 4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine is COc1cnc(CSC)nc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine?
The InChIKey is ZLGDNXGWDLJEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-11-6-4-9-7(5-13-3)10-8(6)12-2/h4H,5H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine?
4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine has a molecular weight of 200.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(methylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 57451387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).