4-[(2,5-dichloropyrimidin-4-yl)amino]phenol

C10H7Cl2N3O — CID 150084740

IUPAC4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
SMILESOc1ccc(Nc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C10H7Cl2N3O/c11-8-5-13-10(12)15-9(8)14-6-1-3-7(16)4-2-6/h1-5,16H,(H,13,14,15)
InChIKeyDRZKXJYGSBNXSA-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.23
Rot. Bonds2

About 4-[(2,5-dichloropyrimidin-4-yl)amino]phenol

4-[(2,5-dichloropyrimidin-4-yl)amino]phenol (PubChem CID 150084740) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 4-[(2,5-dichloropyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
PubChem CID150084740
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
SMILESOc1ccc(Nc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C10H7Cl2N3O/c11-8-5-13-10(12)15-9(8)14-6-1-3-7(16)4-2-6/h1-5,16H,(H,13,14,15)
InChIKeyDRZKXJYGSBNXSA-UHFFFAOYSA-N
XLogP3.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
CID 79639325
4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82066162
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79639322
5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203
2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine
CID 170568300
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid
CID 88937603
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichloropyrimidin-4-yl)amino]phenol?
The IUPAC name of 4-[(2,5-dichloropyrimidin-4-yl)amino]phenol (CID 150084740) is 4-[(2,5-dichloropyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(2,5-dichloropyrimidin-4-yl)amino]phenol?
The canonical SMILES for 4-[(2,5-dichloropyrimidin-4-yl)amino]phenol is Oc1ccc(Nc2nc(Cl)ncc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichloropyrimidin-4-yl)amino]phenol?
The InChIKey is DRZKXJYGSBNXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-8-5-13-10(12)15-9(8)14-6-1-3-7(16)4-2-6/h1-5,16H,(H,13,14,15).
What are the key properties of 4-[(2,5-dichloropyrimidin-4-yl)amino]phenol?
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol has a molecular weight of 256.09 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichloropyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 150084740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).