3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol

C11H15N3O2S2 — CID 112750633

IUPAC3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol
SMILESCCNc1nc(SCC(O)CO)c2sccc2n1
InChIInChI=1S/C11H15N3O2S2/c1-2-12-11-13-8-3-4-17-9(8)10(14-11)18-6-7(16)5-15/h3-4,7,15-16H,2,5-6H2,1H3,(H,12,13,14)
InChIKeyROYXBXYNFMJLTC-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.57
Rot. Bonds6

About 3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol

3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol (PubChem CID 112750633) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol
PubChem CID112750633
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol
SMILESCCNc1nc(SCC(O)CO)c2sccc2n1
InChIInChI=1S/C11H15N3O2S2/c1-2-12-11-13-8-3-4-17-9(8)10(14-11)18-6-7(16)5-15/h3-4,7,15-16H,2,5-6H2,1H3,(H,12,13,14)
InChIKeyROYXBXYNFMJLTC-UHFFFAOYSA-N
XLogP1.57
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine
CID 112750630
3-[5-chloro-2-(ethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894566
3-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894376
N-ethyl-4-pyrazin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 112750376
3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772919
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103324825
4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103335254
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol
CID 59732351
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 103330143
3-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80895045
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891276

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol (CID 112750633) is 3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol is CCNc1nc(SCC(O)CO)c2sccc2n1.
What is the InChIKey of 3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol?
The InChIKey is ROYXBXYNFMJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-2-12-11-13-8-3-4-17-9(8)10(14-11)18-6-7(16)5-15/h3-4,7,15-16H,2,5-6H2,1H3,(H,12,13,14).
What are the key properties of 3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol?
3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol has a molecular weight of 285.39 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 112750633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).