4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine

C12H18N4S2 — CID 103335254

IUPAC4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(SCCN(C)C)c2ccsc2n1
InChIInChI=1S/C12H18N4S2/c1-4-13-12-14-10-9(5-7-17-10)11(15-12)18-8-6-16(2)3/h5,7H,4,6,8H2,1-3H3,(H,13,14,15)
InChIKeyAVWUYUTXGXQTRS-UHFFFAOYSA-N
MW282.44 g/mol
LogP2.78
Rot. Bonds6

About 4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine

4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103335254) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103335254
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(SCCN(C)C)c2ccsc2n1
InChIInChI=1S/C12H18N4S2/c1-4-13-12-14-10-9(5-7-17-10)11(15-12)18-8-6-16(2)3/h5,7H,4,6,8H2,1-3H3,(H,13,14,15)
InChIKeyAVWUYUTXGXQTRS-UHFFFAOYSA-N
XLogP2.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopentylmethylsulfanyl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334935
N-methyl-4-propylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334188
N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288
4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330872
tert-butyl 2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103335390
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325135
3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772919
N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335287
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334675
[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107766413
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103329993
2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 103334011

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103335254) is 4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(SCCN(C)C)c2ccsc2n1.
What is the InChIKey of 4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is AVWUYUTXGXQTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-4-13-12-14-10-9(5-7-17-10)11(15-12)18-8-6-16(2)3/h5,7H,4,6,8H2,1-3H3,(H,13,14,15).
What are the key properties of 4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine?
4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 282.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103335254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).