3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol

C17H21N3O4S — CID 155511706

IUPAC3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol
SMILESC[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C17H21N3O4S/c1-12-10-24-7-6-20(12)16-9-14(11-25(2,22)23)18-17(19-16)13-4-3-5-15(21)8-13/h3-5,8-9,12,21H,6-7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyKCARNVORCYCGDH-LBPRGKRZSA-N
MW363.44 g/mol
LogP1.62
Rot. Bonds4

About 3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol

3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol (PubChem CID 155511706) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol
PubChem CID155511706
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol
SMILESC[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C17H21N3O4S/c1-12-10-24-7-6-20(12)16-9-14(11-25(2,22)23)18-17(19-16)13-4-3-5-15(21)8-13/h3-5,8-9,12,21H,6-7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyKCARNVORCYCGDH-LBPRGKRZSA-N
XLogP1.62
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[4-(Methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]methanol
CID 58137137
3-(6-(4-Hydroxycyclohexylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 50908575
3-(2,6-Dimorpholinopyrimidin-4-yl)phenol
CID 50908576
2-(4-Methyl-6-morpholin-4-yl-pyrimidin-2-yl)-phenol
CID 747898
3-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenol
CID 155516260
3-[4-(3,6-dihydro-2H-pyran-4-yl)-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol
CID 155568479
3-(6-(Methylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 52941331
3-(2-Morpholino-6-(phenylamino)pyrimidin-4-yl)phenol
CID 52942609
3-[4-(methylsulfonylmethyl)-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]pyrimidin-2-yl]phenol
CID 155525333
3-[4-(2-methylsulfonylpropan-2-yl)-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]pyrimidin-2-yl]phenol
CID 155535532
3-[4-(2-methylsulfonylpropan-2-yl)-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]pyrimidin-2-yl]phenol
CID 155543736
3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]phenol
CID 155545182

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol (CID 155511706) is 3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol is C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol?
The InChIKey is KCARNVORCYCGDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-10-24-7-6-20(12)16-9-14(11-25(2,22)23)18-17(19-16)13-4-3-5-15(21)8-13/h3-5,8-9,12,21H,6-7,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol?
3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol has a molecular weight of 363.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3S)-3-methylmorpholin-4-yl]-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 155511706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).