2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol

C16H16N2OS — CID 63201261

IUPAC2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol
SMILESCCc1cc2c(CC(O)c3ccccc3)ncnc2s1
InChIInChI=1S/C16H16N2OS/c1-2-12-8-13-14(17-10-18-16(13)20-12)9-15(19)11-6-4-3-5-7-11/h3-8,10,15,19H,2,9H2,1H3
InChIKeyYCVKBVUNUAPQBB-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.53
Rot. Bonds4

About 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol (PubChem CID 63201261) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol
PubChem CID63201261
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol
SMILESCCc1cc2c(CC(O)c3ccccc3)ncnc2s1
InChIInChI=1S/C16H16N2OS/c1-2-12-8-13-14(17-10-18-16(13)20-12)9-15(19)11-6-4-3-5-7-11/h3-8,10,15,19H,2,9H2,1H3
InChIKeyYCVKBVUNUAPQBB-UHFFFAOYSA-N
XLogP3.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol?
The IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol (CID 63201261) is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol.
What is the SMILES notation for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol?
The canonical SMILES for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol is CCc1cc2c(CC(O)c3ccccc3)ncnc2s1.
What is the InChIKey of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol?
The InChIKey is YCVKBVUNUAPQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-12-8-13-14(17-10-18-16(13)20-12)9-15(19)11-6-4-3-5-7-11/h3-8,10,15,19H,2,9H2,1H3.
What are the key properties of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol?
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol has a molecular weight of 284.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenylethanol is sourced from PubChem (CID 63201261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).