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

C13H22N4O4S — CID 95847738

IUPAC2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1nc([C@H]2CN(S(C)(=O)=O)CCO2)cc(N(C)CCO)n1
InChIInChI=1S/C13H22N4O4S/c1-10-14-11(8-13(15-10)16(2)4-6-18)12-9-17(5-7-21-12)22(3,19)20/h8,12,18H,4-7,9H2,1-3H3/t12-/m1/s1
InChIKeyCTUAYFVTWBSPCV-GFCCVEGCSA-N
MW330.41 g/mol
LogP-0.45
Rot. Bonds5

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

2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 95847738) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID95847738
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1nc([C@H]2CN(S(C)(=O)=O)CCO2)cc(N(C)CCO)n1
InChIInChI=1S/C13H22N4O4S/c1-10-14-11(8-13(15-10)16(2)4-6-18)12-9-17(5-7-21-12)22(3,19)20/h8,12,18H,4-7,9H2,1-3H3/t12-/m1/s1
InChIKeyCTUAYFVTWBSPCV-GFCCVEGCSA-N
XLogP-0.45
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol (CID 95847738) is 2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol is Cc1nc([C@H]2CN(S(C)(=O)=O)CCO2)cc(N(C)CCO)n1.
What is the InChIKey of 2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is CTUAYFVTWBSPCV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-10-14-11(8-13(15-10)16(2)4-6-18)12-9-17(5-7-21-12)22(3,19)20/h8,12,18H,4-7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol?
2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 330.41 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 95847738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).