4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine

C13H17N3S2 — CID 112750630

IUPAC4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine
SMILESCCNc1nc(SC2CCCC2)c2sccc2n1
InChIInChI=1S/C13H17N3S2/c1-2-14-13-15-10-7-8-17-11(10)12(16-13)18-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyITXUTFYLGLEJHF-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.16
Rot. Bonds4

About 4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine

4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 112750630) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine
PubChem CID112750630
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine
SMILESCCNc1nc(SC2CCCC2)c2sccc2n1
InChIInChI=1S/C13H17N3S2/c1-2-14-13-15-10-7-8-17-11(10)12(16-13)18-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyITXUTFYLGLEJHF-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 112750633
4-cyclopentylsulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80889927
4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334576
4-(cyclopentylmethylsulfanyl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334935
4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine
CID 80890101
N-ethyl-4-pyrazin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 112750376
4-cyclopentylsulfanyl-N-methylquinazolin-2-amine
CID 80889929
N-ethyl-6-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8-tetraen-8-amine
CID 66354554
6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80889416
8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
CID 10846537
[4-(4-methylsulfanylazepan-1-yl)thieno[3,2-d]pyrimidin-2-yl]hydrazine
CID 112750748
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol
CID 103329709

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine (CID 112750630) is 4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine is CCNc1nc(SC2CCCC2)c2sccc2n1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is ITXUTFYLGLEJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-2-14-13-15-10-7-8-17-11(10)12(16-13)18-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine?
4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-N-ethylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 112750630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).