4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one

C8H13N3O2S — CID 91162664

IUPAC4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one
SMILESCOC(CSC)n1ccc(N)nc1=O
InChIInChI=1S/C8H13N3O2S/c1-13-7(5-14-2)11-4-3-6(9)10-8(11)12/h3-4,7H,5H2,1-2H3,(H2,9,10,12)
InChIKeyOFBQZWITLANDAD-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.33
Rot. Bonds4

About 4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one

4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one (PubChem CID 91162664) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one
PubChem CID91162664
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one
SMILESCOC(CSC)n1ccc(N)nc1=O
InChIInChI=1S/C8H13N3O2S/c1-13-7(5-14-2)11-4-3-6(9)10-8(11)12/h3-4,7H,5H2,1-2H3,(H2,9,10,12)
InChIKeyOFBQZWITLANDAD-UHFFFAOYSA-N
XLogP0.33
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one (CID 91162664) is 4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one is COC(CSC)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one?
The InChIKey is OFBQZWITLANDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-13-7(5-14-2)11-4-3-6(9)10-8(11)12/h3-4,7H,5H2,1-2H3,(H2,9,10,12).
What are the key properties of 4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one?
4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one has a molecular weight of 215.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-methoxy-2-methylsulfanylethyl)pyrimidin-2-one is sourced from PubChem (CID 91162664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).