1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol

C10H16N2O4S — CID 104522940

IUPAC1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol
SMILESCOc1cc(CC(O)C(C)S(C)(=O)=O)ncn1
InChIInChI=1S/C10H16N2O4S/c1-7(17(3,14)15)9(13)4-8-5-10(16-2)12-6-11-8/h5-7,9,13H,4H2,1-3H3
InChIKeyUXCVZDXGEARUCW-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.18
Rot. Bonds5

About 1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol

1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol (PubChem CID 104522940) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol
PubChem CID104522940
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol
SMILESCOc1cc(CC(O)C(C)S(C)(=O)=O)ncn1
InChIInChI=1S/C10H16N2O4S/c1-7(17(3,14)15)9(13)4-8-5-10(16-2)12-6-11-8/h5-7,9,13H,4H2,1-3H3
InChIKeyUXCVZDXGEARUCW-UHFFFAOYSA-N
XLogP-0.18
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol (CID 104522940) is 1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol is COc1cc(CC(O)C(C)S(C)(=O)=O)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol?
The InChIKey is UXCVZDXGEARUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-7(17(3,14)15)9(13)4-8-5-10(16-2)12-6-11-8/h5-7,9,13H,4H2,1-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol?
1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol has a molecular weight of 260.31 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-3-methylsulfonylbutan-2-ol is sourced from PubChem (CID 104522940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).