3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride

C8H10ClN3OS — CID 138040267

IUPAC3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCl.NCCn1cnc2sccc2c1=O
InChIInChI=1S/C8H9N3OS.ClH/c9-2-3-11-5-10-7-6(8(11)12)1-4-13-7;/h1,4-5H,2-3,9H2;1H
InChIKeyPDQRGTIYWZUPRV-UHFFFAOYSA-N
MW231.71 g/mol
LogP0.84
Rot. Bonds2

About 3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride

3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride (PubChem CID 138040267) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride
PubChem CID138040267
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCl.NCCn1cnc2sccc2c1=O
InChIInChI=1S/C8H9N3OS.ClH/c9-2-3-11-5-10-7-6(8(11)12)1-4-13-7;/h1,4-5H,2-3,9H2;1H
InChIKeyPDQRGTIYWZUPRV-UHFFFAOYSA-N
XLogP0.84
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride (CID 138040267) is 3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride is Cl.NCCn1cnc2sccc2c1=O.
What is the InChIKey of 3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride?
The InChIKey is PDQRGTIYWZUPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS.ClH/c9-2-3-11-5-10-7-6(8(11)12)1-4-13-7;/h1,4-5H,2-3,9H2;1H.
What are the key properties of 3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride?
3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride has a molecular weight of 231.71 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 138040267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).