3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol

C11H15N3OS — CID 115658654

IUPAC3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCCN(CCCO)c1ncnc2ccsc12
InChIInChI=1S/C11H15N3OS/c1-2-14(5-3-6-15)11-10-9(4-7-16-10)12-8-13-11/h4,7-8,15H,2-3,5-6H2,1H3
InChIKeyMBADTJGARXCHLX-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.90
Rot. Bonds5

About 3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol

3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 115658654) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID115658654
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCCN(CCCO)c1ncnc2ccsc12
InChIInChI=1S/C11H15N3OS/c1-2-14(5-3-6-15)11-10-9(4-7-16-10)12-8-13-11/h4,7-8,15H,2-3,5-6H2,1H3
InChIKeyMBADTJGARXCHLX-UHFFFAOYSA-N
XLogP1.90
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol (CID 115658654) is 3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol is CCN(CCCO)c1ncnc2ccsc12.
What is the InChIKey of 3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is MBADTJGARXCHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-14(5-3-6-15)11-10-9(4-7-16-10)12-8-13-11/h4,7-8,15H,2-3,5-6H2,1H3.
What are the key properties of 3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol?
3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 237.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 115658654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).