4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol

C12H8ClN3OS — CID 82066162

IUPAC4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESOc1ccc(Nc2nc(Cl)nc3sccc23)cc1
InChIInChI=1S/C12H8ClN3OS/c13-12-15-10(9-5-6-18-11(9)16-12)14-7-1-3-8(17)4-2-7/h1-6,17H,(H,14,15,16)
InChIKeyDEBKRXRFNNTIOA-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.79
Rot. Bonds2

About 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol

4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol (PubChem CID 82066162) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol
PubChem CID82066162
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESOc1ccc(Nc2nc(Cl)nc3sccc23)cc1
InChIInChI=1S/C12H8ClN3OS/c13-12-15-10(9-5-6-18-11(9)16-12)14-7-1-3-8(17)4-2-7/h1-6,17H,(H,14,15,16)
InChIKeyDEBKRXRFNNTIOA-UHFFFAOYSA-N
XLogP3.79
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.79
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

2-chloro-N-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066169
2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320380
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid
CID 93214091
2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107576856
2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066220
propyl 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 82066170
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
methyl 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 93214104
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 103322284
[2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamic acid
CID 155415470
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol (CID 82066162) is 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol is Oc1ccc(Nc2nc(Cl)nc3sccc23)cc1.
What is the InChIKey of 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is DEBKRXRFNNTIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c13-12-15-10(9-5-6-18-11(9)16-12)14-7-1-3-8(17)4-2-7/h1-6,17H,(H,14,15,16).
What are the key properties of 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol?
4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol has a molecular weight of 277.74 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 82066162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).