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

C15H18N2O3S — CID 3368809

IUPAC1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol
SMILESCc1cc(C)nc(S(=O)CC(O)COc2ccccc2)n1
InChIInChI=1S/C15H18N2O3S/c1-11-8-12(2)17-15(16-11)21(19)10-13(18)9-20-14-6-4-3-5-7-14/h3-8,13,18H,9-10H2,1-2H3
InChIKeyNZBOEDCCPGEQDU-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.64
Rot. Bonds6

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

1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol (PubChem CID 3368809) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol
PubChem CID3368809
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol
SMILESCc1cc(C)nc(S(=O)CC(O)COc2ccccc2)n1
InChIInChI=1S/C15H18N2O3S/c1-11-8-12(2)17-15(16-11)21(19)10-13(18)9-20-14-6-4-3-5-7-14/h3-8,13,18H,9-10H2,1-2H3
InChIKeyNZBOEDCCPGEQDU-UHFFFAOYSA-N
XLogP1.64
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Methyl-6-phenoxy-2-pyrimidinyl)thio]acetamide
CID 2201505
4-Methyl-6-(2-phenoxy-ethylsulfanyl)-pyrimidin-2-ylamine
CID 3156766
4-Methyl-2-methylsulfanyl-6-phenoxypyrimidine
CID 977622
Cambridge id 5859862
CID 3126463
Methyl 2-(4-methyl-6-phenoxypyrimidin-2-yl)sulfanylacetate
CID 4205813
2-[2-(2-Methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine
CID 2052799
Cambridge id 5346854
CID 3770739
4-Methyl-2-(methylthio)-6-[(2-phenoxyethyl)thio]pyrimidine
CID 2200378
2-{[2-(4-Chlorophenoxy)ethyl]sulfanyl}-4,6-dimethylpyrimidine
CID 2291020
1-(4-Chlorophenoxy)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 2842498
Cambridge id 5347425
CID 2842751
Cambridge id 5352695
CID 2843105

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol (CID 3368809) is 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol is Cc1cc(C)nc(S(=O)CC(O)COc2ccccc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol?
The InChIKey is NZBOEDCCPGEQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-8-12(2)17-15(16-11)21(19)10-13(18)9-20-14-6-4-3-5-7-14/h3-8,13,18H,9-10H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol?
1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol has a molecular weight of 306.39 g/mol, XLogP of 1.64, 6 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-phenoxypropan-2-ol is sourced from PubChem (CID 3368809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).