1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol

C14H22N4O3S — CID 110271366

IUPAC1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESCc1nc(C2CCN2S(C)(=O)=O)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C14H22N4O3S/c1-10-15-12(13-5-8-18(13)22(2,20)21)9-14(16-10)17-6-3-11(19)4-7-17/h9,11,13,19H,3-8H2,1-2H3
InChIKeyFCJVXXLTZCQQLP-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.45
Rot. Bonds3

About 1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol

1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 110271366) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID110271366
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESCc1nc(C2CCN2S(C)(=O)=O)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C14H22N4O3S/c1-10-15-12(13-5-8-18(13)22(2,20)21)9-14(16-10)17-6-3-11(19)4-7-17/h9,11,13,19H,3-8H2,1-2H3
InChIKeyFCJVXXLTZCQQLP-UHFFFAOYSA-N
XLogP0.45
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperazin-2-one
CID 110271810
2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol
CID 95846639
2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine
CID 110271312
N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
CID 110271569
2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
CID 110271544
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
1-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)piperidin-4-ol
CID 127244719
N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine
CID 95846977
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 75538812
1-[2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)azetidin-1-yl]ethanone
CID 110271802
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 75538862
2-methyl-4-(2-methylpyrazol-3-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110101190

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol (CID 110271366) is 1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol is Cc1nc(C2CCN2S(C)(=O)=O)cc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is FCJVXXLTZCQQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-10-15-12(13-5-8-18(13)22(2,20)21)9-14(16-10)17-6-3-11(19)4-7-17/h9,11,13,19H,3-8H2,1-2H3.
What are the key properties of 1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol?
1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 326.42 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 110271366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).