2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine

C13H17N3S — CID 55250109

IUPAC2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(C3CCCC3)nc2s1
InChIInChI=1S/C13H17N3S/c1-2-9-7-10-11(14)15-12(16-13(10)17-9)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H2,14,15,16)
InChIKeyYKFDFYMYYPWLNM-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.49
Rot. Bonds2

About 2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine

2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 55250109) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID55250109
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(C3CCCC3)nc2s1
InChIInChI=1S/C13H17N3S/c1-2-9-7-10-11(14)15-12(16-13(10)17-9)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H2,14,15,16)
InChIKeyYKFDFYMYYPWLNM-UHFFFAOYSA-N
XLogP3.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 70702227
2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63614822
2-(1,4-dithian-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 79965495
6-ethyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 79969235
2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45278943
2-(4,4-dimethylcyclohexyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65392053
6-ethyl-2-(3-ethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65412798
6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987764
6-ethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323826
2-(1-ethoxycyclopentyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 116775464
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
[2-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 115337316

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 55250109) is 2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N)nc(C3CCCC3)nc2s1.
What is the InChIKey of 2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YKFDFYMYYPWLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-9-7-10-11(14)15-12(16-13(10)17-9)8-5-3-4-6-8/h7-8H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine?
2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55250109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).