2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol

C12H20N4O3S — CID 95846639

IUPAC2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1nc([C@H]2CCN2S(C)(=O)=O)cc(N(C)CCO)n1
InChIInChI=1S/C12H20N4O3S/c1-9-13-10(8-12(14-9)15(2)6-7-17)11-4-5-16(11)20(3,18)19/h8,11,17H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyXWQAGKOGOWUBPR-LLVKDONJSA-N
MW300.38 g/mol
LogP-0.08
Rot. Bonds5

About 2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol

2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 95846639) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID95846639
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1nc([C@H]2CCN2S(C)(=O)=O)cc(N(C)CCO)n1
InChIInChI=1S/C12H20N4O3S/c1-9-13-10(8-12(14-9)15(2)6-7-17)11-4-5-16(11)20(3,18)19/h8,11,17H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyXWQAGKOGOWUBPR-LLVKDONJSA-N
XLogP-0.08
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol (CID 95846639) is 2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol is Cc1nc([C@H]2CCN2S(C)(=O)=O)cc(N(C)CCO)n1.
What is the InChIKey of 2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is XWQAGKOGOWUBPR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9-13-10(8-12(14-9)15(2)6-7-17)11-4-5-16(11)20(3,18)19/h8,11,17H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol?
2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 300.38 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 95846639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).