1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol

C10H14N2OS — CID 65212418

IUPAC1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol
SMILESOC1(CSc2ncccn2)CCCC1
InChIInChI=1S/C10H14N2OS/c13-10(4-1-2-5-10)8-14-9-11-6-3-7-12-9/h3,6-7,13H,1-2,4-5,8H2
InChIKeyVKGBCWWRVOUCAN-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.87
Rot. Bonds3

About 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol

1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol (PubChem CID 65212418) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol
PubChem CID65212418
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol
SMILESOC1(CSc2ncccn2)CCCC1
InChIInChI=1S/C10H14N2OS/c13-10(4-1-2-5-10)8-14-9-11-6-3-7-12-9/h3,6-7,13H,1-2,4-5,8H2
InChIKeyVKGBCWWRVOUCAN-UHFFFAOYSA-N
XLogP1.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol?
The IUPAC name of 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol (CID 65212418) is 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol?
The canonical SMILES for 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol is OC1(CSc2ncccn2)CCCC1.
What is the InChIKey of 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol?
The InChIKey is VKGBCWWRVOUCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-10(4-1-2-5-10)8-14-9-11-6-3-7-12-9/h3,6-7,13H,1-2,4-5,8H2.
What are the key properties of 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol?
1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol has a molecular weight of 210.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylsulfanylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 65212418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).