1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol

C11H18N2O2S — CID 65043787

IUPAC1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCOCC(O)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C11H18N2O2S/c1-7-8(2)12-11(13-9(7)3)16-6-10(14)5-15-4/h10,14H,5-6H2,1-4H3
InChIKeyZNGSGPWKSJRWNU-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.50
Rot. Bonds5

About 1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol

1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol (PubChem CID 65043787) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
PubChem CID65043787
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCOCC(O)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C11H18N2O2S/c1-7-8(2)12-11(13-9(7)3)16-6-10(14)5-15-4/h10,14H,5-6H2,1-4H3
InChIKeyZNGSGPWKSJRWNU-UHFFFAOYSA-N
XLogP1.50
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol (CID 65043787) is 1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol is COCC(O)CSc1nc(C)c(C)c(C)n1.
What is the InChIKey of 1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The InChIKey is ZNGSGPWKSJRWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7-8(2)12-11(13-9(7)3)16-6-10(14)5-15-4/h10,14H,5-6H2,1-4H3.
What are the key properties of 1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol has a molecular weight of 242.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 65043787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).