2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine

C8H11N3S — CID 105439663

IUPAC2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine
SMILESNCCc1ncc2c(n1)CSC2
InChIInChI=1S/C8H11N3S/c9-2-1-8-10-3-6-4-12-5-7(6)11-8/h3H,1-2,4-5,9H2
InChIKeyDCHSRFTWQXMBBO-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.72
Rot. Bonds2

About 2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine

2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine (PubChem CID 105439663) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine
PubChem CID105439663
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine
SMILESNCCc1ncc2c(n1)CSC2
InChIInChI=1S/C8H11N3S/c9-2-1-8-10-3-6-4-12-5-7(6)11-8/h3H,1-2,4-5,9H2
InChIKeyDCHSRFTWQXMBBO-UHFFFAOYSA-N
XLogP0.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine (CID 105439663) is 2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine is NCCc1ncc2c(n1)CSC2.
What is the InChIKey of 2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine?
The InChIKey is DCHSRFTWQXMBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c9-2-1-8-10-3-6-4-12-5-7(6)11-8/h3H,1-2,4-5,9H2.
What are the key properties of 2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine?
2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine has a molecular weight of 181.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanamine is sourced from PubChem (CID 105439663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).