2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine

C7H10N2O2S — CID 59826761

IUPAC2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine
SMILES[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])nc(SC)n1
InChIInChI=1S/C7H10N2O2S/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3/i1D3,2D3
InChIKeyURSYQIBBJXLQBW-WFGJKAKNSA-N
MW192.27 g/mol
LogP1.22
Rot. Bonds5

About 2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine

2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine (PubChem CID 59826761) has the molecular formula C7H10N2O2S and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine
PubChem CID59826761
Molecular FormulaC7H10N2O2S
Molecular Weight192.27 g/mol
Exact Mass192.08
IUPAC Name2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine
SMILES[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])nc(SC)n1
InChIInChI=1S/C7H10N2O2S/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3/i1D3,2D3
InChIKeyURSYQIBBJXLQBW-WFGJKAKNSA-N
XLogP1.22
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine?
The IUPAC name of 2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine (CID 59826761) is 2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine?
The canonical SMILES for 2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine is [2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine?
The InChIKey is URSYQIBBJXLQBW-WFGJKAKNSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3/i1D3,2D3.
What are the key properties of 2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine?
2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine has a molecular weight of 192.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4,6-bis(trideuteriomethoxy)pyrimidine is sourced from PubChem (CID 59826761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).