N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine

C14H19N3S — CID 114273439

IUPACN-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCC1CCC(Nc2ncc3ccsc3n2)C1C
InChIInChI=1S/C14H19N3S/c1-3-10-4-5-12(9(10)2)16-14-15-8-11-6-7-18-13(11)17-14/h6-10,12H,3-5H2,1-2H3,(H,15,16,17)
InChIKeySTVYSZOQSOQADC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.93
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine

N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 114273439) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID114273439
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCC1CCC(Nc2ncc3ccsc3n2)C1C
InChIInChI=1S/C14H19N3S/c1-3-10-4-5-12(9(10)2)16-14-15-8-11-6-7-18-13(11)17-14/h6-10,12H,3-5H2,1-2H3,(H,15,16,17)
InChIKeySTVYSZOQSOQADC-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine (CID 114273439) is N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine is CCC1CCC(Nc2ncc3ccsc3n2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is STVYSZOQSOQADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-10-4-5-12(9(10)2)16-14-15-8-11-6-7-18-13(11)17-14/h6-10,12H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine?
N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 114273439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).