3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol

C12H17N3OS2 — CID 107772919

IUPAC3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol
SMILESCCNc1nc(SC(C)C(C)O)c2ccsc2n1
InChIInChI=1S/C12H17N3OS2/c1-4-13-12-14-10-9(5-6-17-10)11(15-12)18-8(3)7(2)16/h5-8,16H,4H2,1-3H3,(H,13,14,15)
InChIKeyUESKHOVJGLGEQZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.98
Rot. Bonds5

About 3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol

3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol (PubChem CID 107772919) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol
PubChem CID107772919
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC Name3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol
SMILESCCNc1nc(SC(C)C(C)O)c2ccsc2n1
InChIInChI=1S/C12H17N3OS2/c1-4-13-12-14-10-9(5-6-17-10)11(15-12)18-8(3)7(2)16/h5-8,16H,4H2,1-3H3,(H,13,14,15)
InChIKeyUESKHOVJGLGEQZ-UHFFFAOYSA-N
XLogP2.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288
N-methyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334551
4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103335254
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334675
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 103330143
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772815
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335287
4-(cyclopentylmethylsulfanyl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334935
tert-butyl 2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103335390
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103324825

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol?
The IUPAC name of 3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol (CID 107772919) is 3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol is CCNc1nc(SC(C)C(C)O)c2ccsc2n1.
What is the InChIKey of 3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol?
The InChIKey is UESKHOVJGLGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-4-13-12-14-10-9(5-6-17-10)11(15-12)18-8(3)7(2)16/h5-8,16H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol?
3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).