2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol

C9H12N2OS — CID 105450140

IUPAC2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol
SMILESOCCc1ncc2c(n1)CCSC2
InChIInChI=1S/C9H12N2OS/c12-3-1-9-10-5-7-6-13-4-2-8(7)11-9/h5,12H,1-4,6H2
InChIKeyXVHHGSKPLYHJEQ-UHFFFAOYSA-N
MW196.27 g/mol
LogP0.80
Rot. Bonds2

About 2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol

2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol (PubChem CID 105450140) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol
PubChem CID105450140
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol
SMILESOCCc1ncc2c(n1)CCSC2
InChIInChI=1S/C9H12N2OS/c12-3-1-9-10-5-7-6-13-4-2-8(7)11-9/h5,12H,1-4,6H2
InChIKeyXVHHGSKPLYHJEQ-UHFFFAOYSA-N
XLogP0.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol?
The IUPAC name of 2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol (CID 105450140) is 2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol.
What is the SMILES notation for 2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol?
The canonical SMILES for 2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol is OCCc1ncc2c(n1)CCSC2.
What is the InChIKey of 2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol?
The InChIKey is XVHHGSKPLYHJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-3-1-9-10-5-7-6-13-4-2-8(7)11-9/h5,12H,1-4,6H2.
What are the key properties of 2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol?
2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol has a molecular weight of 196.27 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanol is sourced from PubChem (CID 105450140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).