3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C13H16N2O2S — CID 102735011

IUPAC3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn([C@H]3CCC[C@@H]3O)c(=O)c2c1C
InChIInChI=1S/C13H16N2O2S/c1-7-8(2)18-12-11(7)13(17)15(6-14-12)9-4-3-5-10(9)16/h6,9-10,16H,3-5H2,1-2H3/t9-,10-/m0/s1
InChIKeyQTZNEFPKJKDUNO-UWVGGRQHSA-N
MW264.35 g/mol
LogP2.16
Rot. Bonds1

About 3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 102735011) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID102735011
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn([C@H]3CCC[C@@H]3O)c(=O)c2c1C
InChIInChI=1S/C13H16N2O2S/c1-7-8(2)18-12-11(7)13(17)15(6-14-12)9-4-3-5-10(9)16/h6,9-10,16H,3-5H2,1-2H3/t9-,10-/m0/s1
InChIKeyQTZNEFPKJKDUNO-UWVGGRQHSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 102735011) is 3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn([C@H]3CCC[C@@H]3O)c(=O)c2c1C.
What is the InChIKey of 3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is QTZNEFPKJKDUNO-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-7-8(2)18-12-11(7)13(17)15(6-14-12)9-4-3-5-10(9)16/h6,9-10,16H,3-5H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-hydroxycyclopentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 102735011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).