1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine

C13H19N3S — CID 63196590

IUPAC1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
SMILESCCCC(N)Cc1ncnc2sc(CC)cc12
InChIInChI=1S/C13H19N3S/c1-3-5-9(14)6-12-11-7-10(4-2)17-13(11)16-8-15-12/h7-9H,3-6,14H2,1-2H3
InChIKeyPOAXOYDXRYKZLF-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.92
Rot. Bonds5

About 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine

1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine (PubChem CID 63196590) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
PubChem CID63196590
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
SMILESCCCC(N)Cc1ncnc2sc(CC)cc12
InChIInChI=1S/C13H19N3S/c1-3-5-9(14)6-12-11-7-10(4-2)17-13(11)16-8-15-12/h7-9H,3-6,14H2,1-2H3
InChIKeyPOAXOYDXRYKZLF-UHFFFAOYSA-N
XLogP2.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,3,3-trimethylbutan-2-amine
CID 63198232
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-one
CID 63198829
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine
CID 63196494
1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
CID 63761357
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 65192081
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
CID 113426513
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 114010801
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 133279433
N-[1-(aminomethyl)cyclopentyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63760165
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
The IUPAC name of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine (CID 63196590) is 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine.
What is the SMILES notation for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
The canonical SMILES for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine is CCCC(N)Cc1ncnc2sc(CC)cc12.
What is the InChIKey of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
The InChIKey is POAXOYDXRYKZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-3-5-9(14)6-12-11-7-10(4-2)17-13(11)16-8-15-12/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine?
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)pentan-2-amine is sourced from PubChem (CID 63196590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).