1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol

C14H17N3OS — CID 112586531

IUPAC1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2nc(C)cc(C)n2)cn1
InChIInChI=1S/C14H17N3OS/c1-4-13(18)12-6-5-11(8-15-12)19-14-16-9(2)7-10(3)17-14/h5-8,13,18H,4H2,1-3H3
InChIKeyHQYQDGIDTGVENJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.08
Rot. Bonds4

About 1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol

1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol (PubChem CID 112586531) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
PubChem CID112586531
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2nc(C)cc(C)n2)cn1
InChIInChI=1S/C14H17N3OS/c1-4-13(18)12-6-5-11(8-15-12)19-14-16-9(2)7-10(3)17-14/h5-8,13,18H,4H2,1-3H3
InChIKeyHQYQDGIDTGVENJ-UHFFFAOYSA-N
XLogP3.08
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol
CID 112586571
(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355459
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939372
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586532
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939384
(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol
CID 113355469
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol
CID 115941653
1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586546

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol (CID 112586531) is 1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Sc2nc(C)cc(C)n2)cn1.
What is the InChIKey of 1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol?
The InChIKey is HQYQDGIDTGVENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-13(18)12-6-5-11(8-15-12)19-14-16-9(2)7-10(3)17-14/h5-8,13,18H,4H2,1-3H3.
What are the key properties of 1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol?
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol has a molecular weight of 275.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112586531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).