6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

C13H13ClN4S — CID 2837438

IUPAC6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1cc2c(Nc3ccncc3)ncnc2s1.Cl
InChIInChI=1S/C13H12N4S.ClH/c1-2-10-7-11-12(15-8-16-13(11)18-10)17-9-3-5-14-6-4-9;/h3-8H,2H2,1H3,(H,14,15,16,17);1H
InChIKeySVBBYARWPLQIRL-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.81
Rot. Bonds3

About 6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 2837438) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID2837438
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1cc2c(Nc3ccncc3)ncnc2s1.Cl
InChIInChI=1S/C13H12N4S.ClH/c1-2-10-7-11-12(15-8-16-13(11)18-10)17-9-3-5-14-6-4-9;/h3-8H,2H2,1H3,(H,14,15,16,17);1H
InChIKeySVBBYARWPLQIRL-UHFFFAOYSA-N
XLogP3.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 2837438) is 6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is CCc1cc2c(Nc3ccncc3)ncnc2s1.Cl.
What is the InChIKey of 6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is SVBBYARWPLQIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S.ClH/c1-2-10-7-11-12(15-8-16-13(11)18-10)17-9-3-5-14-6-4-9;/h3-8H,2H2,1H3,(H,14,15,16,17);1H.
What are the key properties of 6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 292.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 2837438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).