6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C12H16N4S2 — CID 103330885

IUPAC6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NC3CCSC3)nc(N)nc2s1
InChIInChI=1S/C12H16N4S2/c1-2-8-5-9-10(14-7-3-4-17-6-7)15-12(13)16-11(9)18-8/h5,7H,2-4,6H2,1H3,(H3,13,14,15,16)
InChIKeyFEVNXBFOBKERFC-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.75
Rot. Bonds3

About 6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330885) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330885
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NC3CCSC3)nc(N)nc2s1
InChIInChI=1S/C12H16N4S2/c1-2-8-5-9-10(14-7-3-4-17-6-7)15-12(13)16-11(9)18-8/h5,7H,2-4,6H2,1H3,(H3,13,14,15,16)
InChIKeyFEVNXBFOBKERFC-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
2-chloro-6-ethyl-N-(thiolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322745
6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324441
6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324772
6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327762
6-ethyl-4-N-(3-ethylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328382
[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 103328658
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329523
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330885) is 6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NC3CCSC3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FEVNXBFOBKERFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-2-8-5-9-10(14-7-3-4-17-6-7)15-12(13)16-11(9)18-8/h5,7H,2-4,6H2,1H3,(H3,13,14,15,16).
What are the key properties of 6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).