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

C16H20N2O2S — CID 602976

IUPAC1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol
SMILESCc1cc(C)nc(SCC(O)COCc2ccccc2)n1
InChIInChI=1S/C16H20N2O2S/c1-12-8-13(2)18-16(17-12)21-11-15(19)10-20-9-14-6-4-3-5-7-14/h3-8,15,19H,9-11H2,1-2H3
InChIKeyYMVYDDKAGHZYLM-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.76
Rot. Bonds7

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

1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol (PubChem CID 602976) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol
PubChem CID602976
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol
SMILESCc1cc(C)nc(SCC(O)COCc2ccccc2)n1
InChIInChI=1S/C16H20N2O2S/c1-12-8-13(2)18-16(17-12)21-11-15(19)10-20-9-14-6-4-3-5-7-14/h3-8,15,19H,9-11H2,1-2H3
InChIKeyYMVYDDKAGHZYLM-UHFFFAOYSA-N
XLogP2.76
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.76
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-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol (CID 602976) is 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol is Cc1cc(C)nc(SCC(O)COCc2ccccc2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol?
The InChIKey is YMVYDDKAGHZYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-8-13(2)18-16(17-12)21-11-15(19)10-20-9-14-6-4-3-5-7-14/h3-8,15,19H,9-11H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol?
1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol has a molecular weight of 304.42 g/mol, XLogP of 2.76, 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)sulfanyl-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 602976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).