(2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine

C17H21N3O3S — CID 125025847

IUPAC(2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
SMILESCc1ccnc([C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1
InChIInChI=1S/C17H21N3O3S/c1-13-7-8-18-17(19-13)16-12-20(9-10-23-16)11-14-3-5-15(6-4-14)24(2,21)22/h3-8,16H,9-12H2,1-2H3/t16-/m1/s1
InChIKeyZPLOTBBUVTVOBQ-MRXNPFEDSA-N
MW347.44 g/mol
LogP1.76
Rot. Bonds4

About (2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine

(2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine (PubChem CID 125025847) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
PubChem CID125025847
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
SMILESCc1ccnc([C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1
InChIInChI=1S/C17H21N3O3S/c1-13-7-8-18-17(19-13)16-12-20(9-10-23-16)11-14-3-5-15(6-4-14)24(2,21)22/h3-8,16H,9-12H2,1-2H3/t16-/m1/s1
InChIKeyZPLOTBBUVTVOBQ-MRXNPFEDSA-N
XLogP1.76
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine?
The IUPAC name of (2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine (CID 125025847) is (2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine?
The canonical SMILES for (2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine is Cc1ccnc([C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)CCO2)n1.
What is the InChIKey of (2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine?
The InChIKey is ZPLOTBBUVTVOBQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-7-8-18-17(19-13)16-12-20(9-10-23-16)11-14-3-5-15(6-4-14)24(2,21)22/h3-8,16H,9-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine?
(2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine has a molecular weight of 347.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine is sourced from PubChem (CID 125025847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).