2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol

C15H15N3OS2 — CID 4795512

IUPAC2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
SMILESCc1sc2nc(-c3cccnc3)nc(SCCO)c2c1C
InChIInChI=1S/C15H15N3OS2/c1-9-10(2)21-15-12(9)14(20-7-6-19)17-13(18-15)11-4-3-5-16-8-11/h3-5,8,19H,6-7H2,1-2H3
InChIKeyMJKYLAHLWBBLFY-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.45
Rot. Bonds4

About 2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol

2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol (PubChem CID 4795512) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
PubChem CID4795512
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
SMILESCc1sc2nc(-c3cccnc3)nc(SCCO)c2c1C
InChIInChI=1S/C15H15N3OS2/c1-9-10(2)21-15-12(9)14(20-7-6-19)17-13(18-15)11-4-3-5-16-8-11/h3-5,8,19H,6-7H2,1-2H3
InChIKeyMJKYLAHLWBBLFY-UHFFFAOYSA-N
XLogP3.45
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol (CID 4795512) is 2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol is Cc1sc2nc(-c3cccnc3)nc(SCCO)c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The InChIKey is MJKYLAHLWBBLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-9-10(2)21-15-12(9)14(20-7-6-19)17-13(18-15)11-4-3-5-16-8-11/h3-5,8,19H,6-7H2,1-2H3.
What are the key properties of 2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol has a molecular weight of 317.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 4795512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).