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

C15H18N2O2S — CID 2843105

IUPAC1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol
SMILESCc1cc(C)nc(SCC(O)COc2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-11-8-12(2)17-15(16-11)20-10-13(18)9-19-14-6-4-3-5-7-14/h3-8,13,18H,9-10H2,1-2H3
InChIKeyNFITZTSJWXOTFQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.63
Rot. Bonds6

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

1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol (PubChem CID 2843105) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol
PubChem CID2843105
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol
SMILESCc1cc(C)nc(SCC(O)COc2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-11-8-12(2)17-15(16-11)20-10-13(18)9-19-14-6-4-3-5-7-14/h3-8,13,18H,9-10H2,1-2H3
InChIKeyNFITZTSJWXOTFQ-UHFFFAOYSA-N
XLogP2.63
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol (CID 2843105) is 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol is Cc1cc(C)nc(SCC(O)COc2ccccc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol?
The InChIKey is NFITZTSJWXOTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-8-12(2)17-15(16-11)20-10-13(18)9-19-14-6-4-3-5-7-14/h3-8,13,18H,9-10H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol?
1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenoxypropan-2-ol has a molecular weight of 290.39 g/mol, XLogP of 2.63, 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)sulfanyl-3-phenoxypropan-2-ol is sourced from PubChem (CID 2843105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).