1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol

C16H20N2O3S — CID 3770739

IUPAC1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol
SMILESCc1cc(C)nc(S(=O)CC(O)COCc2ccccc2)n1
InChIInChI=1S/C16H20N2O3S/c1-12-8-13(2)18-16(17-12)22(20)11-15(19)10-21-9-14-6-4-3-5-7-14/h3-8,15,19H,9-11H2,1-2H3
InChIKeyZUGORNSLAUGKNG-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.78
Rot. Bonds7

About 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol

1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol (PubChem CID 3770739) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol
PubChem CID3770739
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol
SMILESCc1cc(C)nc(S(=O)CC(O)COCc2ccccc2)n1
InChIInChI=1S/C16H20N2O3S/c1-12-8-13(2)18-16(17-12)22(20)11-15(19)10-21-9-14-6-4-3-5-7-14/h3-8,15,19H,9-11H2,1-2H3
InChIKeyZUGORNSLAUGKNG-UHFFFAOYSA-N
XLogP1.78
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzyl S-4,6-dimethylpyrimidin-2-yl thiocarbonate
CID 563496
2-(Benzyloxy)-1-[(butylsulfinyl)methyl]ethyl [(4,6-dimethyl-2-pyrimidinyl)thio]acetate
CID 2924584
Cambridge id 5347425
CID 2842751
Cambridge id 5352695
CID 2843105
Cambridge id 5353925
CID 3480854
3-Fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol
CID 138651390
2-[3-[(2-Fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-4-methylpyrimidine
CID 172711771
1-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol
CID 602976
1-(4,6-Dimethylpyrimidine-2-sulfinyl)-3-phenoxypropan-2-ol
CID 3368809
2-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propylsulfanyl]-4,6-dimethylpyrimidine
CID 3485228
2-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 3678558
(2R)-1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 8301032

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol (CID 3770739) is 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol is Cc1cc(C)nc(S(=O)CC(O)COCc2ccccc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol?
The InChIKey is ZUGORNSLAUGKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-8-13(2)18-16(17-12)22(20)11-15(19)10-21-9-14-6-4-3-5-7-14/h3-8,15,19H,9-11H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol?
1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol has a molecular weight of 320.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 3770739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).