1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol

C12H14ClN3O2S — CID 86618429

IUPAC1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol
SMILESCC(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C12H14ClN3O2S/c1-7(17)9-6-8-10(19-9)11(15-12(13)14-8)16-2-4-18-5-3-16/h6-7,17H,2-5H2,1H3
InChIKeyDEYFURBTEDJPSS-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.23
Rot. Bonds2

About 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol

1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol (PubChem CID 86618429) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol
PubChem CID86618429
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol
SMILESCC(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1
InChIInChI=1S/C12H14ClN3O2S/c1-7(17)9-6-8-10(19-9)11(15-12(13)14-8)16-2-4-18-5-3-16/h6-7,17H,2-5H2,1H3
InChIKeyDEYFURBTEDJPSS-UHFFFAOYSA-N
XLogP2.23
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol?
The IUPAC name of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol (CID 86618429) is 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol?
The canonical SMILES for 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol is CC(O)c1cc2nc(Cl)nc(N3CCOCC3)c2s1.
What is the InChIKey of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol?
The InChIKey is DEYFURBTEDJPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-7(17)9-6-8-10(19-9)11(15-12(13)14-8)16-2-4-18-5-3-16/h6-7,17H,2-5H2,1H3.
What are the key properties of 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol?
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol has a molecular weight of 299.78 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethanol is sourced from PubChem (CID 86618429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).