4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

C15H15N3OS — CID 28851372

IUPAC4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1nc(Nc2ccc(O)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H15N3OS/c1-8-9(2)20-15-13(8)14(16-10(3)17-15)18-11-4-6-12(19)7-5-11/h4-7,19H,1-3H3,(H,16,17,18)
InChIKeyPIIUPWSGGOSUPH-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.07
Rot. Bonds2

About 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol

4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (PubChem CID 28851372) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
PubChem CID28851372
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESCc1nc(Nc2ccc(O)cc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H15N3OS/c1-8-9(2)20-15-13(8)14(16-10(3)17-15)18-11-4-6-12(19)7-5-11/h4-7,19H,1-3H3,(H,16,17,18)
InChIKeyPIIUPWSGGOSUPH-UHFFFAOYSA-N
XLogP4.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 9184743
N-(3-fluoro-4-methylphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 5066551
2-methylpropyl 4-(4-hydroxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28853426
N-(3-methoxyphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 4225944
3-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 93214059
2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965406
4-(4-bromoanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28856079
2-[4-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 82066106
4-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 28854062
2-benzyl-N-(4-bromophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964603
N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 16553303
4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 28844051

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol (CID 28851372) is 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is Cc1nc(Nc2ccc(O)cc2)c2c(C)c(C)sc2n1.
What is the InChIKey of 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is PIIUPWSGGOSUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-8-9(2)20-15-13(8)14(16-10(3)17-15)18-11-4-6-12(19)7-5-11/h4-7,19H,1-3H3,(H,16,17,18).
What are the key properties of 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol?
4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol has a molecular weight of 285.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 28851372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).