ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate

C13H19N3O3S — CID 168654698

IUPACethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(SC)nc1N1CCOCC1
InChIInChI=1S/C13H19N3O3S/c1-4-19-12(17)10-9(2)14-13(20-3)15-11(10)16-5-7-18-8-6-16/h4-8H2,1-3H3
InChIKeyBAAINRUGBNTYMH-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.52
Rot. Bonds4

About ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate

ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate (PubChem CID 168654698) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate
PubChem CID168654698
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(SC)nc1N1CCOCC1
InChIInChI=1S/C13H19N3O3S/c1-4-19-12(17)10-9(2)14-13(20-3)15-11(10)16-5-7-18-8-6-16/h4-8H2,1-3H3
InChIKeyBAAINRUGBNTYMH-UHFFFAOYSA-N
XLogP1.52
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate (CID 168654698) is ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(SC)nc1N1CCOCC1.
What is the InChIKey of ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate?
The InChIKey is BAAINRUGBNTYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-19-12(17)10-9(2)14-13(20-3)15-11(10)16-5-7-18-8-6-16/h4-8H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate?
ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 168654698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).