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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Related Compounds

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CID 71171636
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4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
CID 134425665
4-amino-1-[(1R,2R,3R)-1-fluoro-2-hydroxy-3-(hydroxymethyl)-3-methoxy-4-methylsulfanylbutyl]pyrimidin-2-one
CID 155070127
4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one
CID 129301961
1-(4-amino-2-oxopyrimidin-1-yl)propoxymethylphosphonic acid
CID 90410031
2-[1-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropanal
CID 170585290
4-amino-1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxyethyl]pyrimidin-2-one
CID 71218250
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
4-amino-1-[1-[(2S)-4-hydroxy-1,3-dimethoxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 173465411
4-amino-1-tridecan-6-ylpyrimidin-2-one
CID 135183581
4-amino-1-[1-[(2R)-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70991882

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).