methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate

C11H15N3O4S — CID 56963938

IUPACmethyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1c(C)cc(SC)nc1=O
InChIInChI=1S/C11H15N3O4S/c1-7-4-9(19-3)13-11(17)14(7)6-8(15)12-5-10(16)18-2/h4H,5-6H2,1-3H3,(H,12,15)
InChIKeyFQULENZHJCRCOC-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.44
Rot. Bonds5

About methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate

methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 56963938) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID56963938
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Namemethyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1c(C)cc(SC)nc1=O
InChIInChI=1S/C11H15N3O4S/c1-7-4-9(19-3)13-11(17)14(7)6-8(15)12-5-10(16)18-2/h4H,5-6H2,1-3H3,(H,12,15)
InChIKeyFQULENZHJCRCOC-UHFFFAOYSA-N
XLogP-0.44
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 56963835
methyl (2S)-3-methyl-2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 56963939
Methyl 2-[[2-(5-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 56963942

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate (CID 56963938) is methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cn1c(C)cc(SC)nc1=O.
What is the InChIKey of methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is FQULENZHJCRCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7-4-9(19-3)13-11(17)14(7)6-8(15)12-5-10(16)18-2/h4H,5-6H2,1-3H3,(H,12,15).
What are the key properties of methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate?
methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 285.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 56963938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).