4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride

C15H16ClN3OS — CID 6458036

IUPAC4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride
SMILESCCc1cc2c(Nc3ccc(O)cc3)nc(C)nc2s1.Cl
InChIInChI=1S/C15H15N3OS.ClH/c1-3-12-8-13-14(16-9(2)17-15(13)20-12)18-10-4-6-11(19)7-5-10;/h4-8,19H,3H2,1-2H3,(H,16,17,18);1H
InChIKeyFSUHOONJKXONNW-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.43
Rot. Bonds3

About 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride

4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride (PubChem CID 6458036) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride
PubChem CID6458036
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride
SMILESCCc1cc2c(Nc3ccc(O)cc3)nc(C)nc2s1.Cl
InChIInChI=1S/C15H15N3OS.ClH/c1-3-12-8-13-14(16-9(2)17-15(13)20-12)18-10-4-6-11(19)7-5-10;/h4-8,19H,3H2,1-2H3,(H,16,17,18);1H
InChIKeyFSUHOONJKXONNW-UHFFFAOYSA-N
XLogP4.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride?
The IUPAC name of 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride (CID 6458036) is 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride.
What is the SMILES notation for 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride?
The canonical SMILES for 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride is CCc1cc2c(Nc3ccc(O)cc3)nc(C)nc2s1.Cl.
What is the InChIKey of 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride?
The InChIKey is FSUHOONJKXONNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS.ClH/c1-3-12-8-13-14(16-9(2)17-15(13)20-12)18-10-4-6-11(19)7-5-10;/h4-8,19H,3H2,1-2H3,(H,16,17,18);1H.
What are the key properties of 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride?
4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride has a molecular weight of 321.83 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol;hydrochloride is sourced from PubChem (CID 6458036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).