4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

C19H15N3OS — CID 16876234

IUPAC4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1nc(Nc2ccc(O)cc2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C19H15N3OS/c1-12-20-18(22-14-7-9-15(23)10-8-14)16-11-17(24-19(16)21-12)13-5-3-2-4-6-13/h2-11,23H,1H3,(H,20,21,22)
InChIKeyKNNGYNBPDGYIKK-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.12
Rot. Bonds3

About 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (PubChem CID 16876234) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
PubChem CID16876234
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1nc(Nc2ccc(O)cc2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C19H15N3OS/c1-12-20-18(22-14-7-9-15(23)10-8-14)16-11-17(24-19(16)21-12)13-5-3-2-4-6-13/h2-11,23H,1H3,(H,20,21,22)
InChIKeyKNNGYNBPDGYIKK-UHFFFAOYSA-N
XLogP5.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.12
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-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (CID 16876234) is 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is Cc1nc(Nc2ccc(O)cc2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is KNNGYNBPDGYIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-20-18(22-14-7-9-15(23)10-8-14)16-11-17(24-19(16)21-12)13-5-3-2-4-6-13/h2-11,23H,1H3,(H,20,21,22).
What are the key properties of 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol has a molecular weight of 333.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 16876234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).