4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine

C10H7Cl2N3O2 — CID 56998483

IUPAC4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine
SMILES[H]/N=c1\nc(Oc2ccc(Cl)cc2Cl)ccn1O
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-2-8(7(12)5-6)17-9-3-4-15(16)10(13)14-9/h1-5,13,16H/b13-10+
InChIKeyFRSLKFFPWYLBHU-JLHYYAGUSA-N
MW272.09 g/mol
LogP2.70
Rot. Bonds2

About 4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine

4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine (PubChem CID 56998483) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine
PubChem CID56998483
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine
SMILES[H]/N=c1\nc(Oc2ccc(Cl)cc2Cl)ccn1O
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-2-8(7(12)5-6)17-9-3-4-15(16)10(13)14-9/h1-5,13,16H/b13-10+
InChIKeyFRSLKFFPWYLBHU-JLHYYAGUSA-N
XLogP2.70
TPSA71.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine?
The IUPAC name of 4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine (CID 56998483) is 4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine is [H]/N=c1\nc(Oc2ccc(Cl)cc2Cl)ccn1O.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine?
The InChIKey is FRSLKFFPWYLBHU-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-6-1-2-8(7(12)5-6)17-9-3-4-15(16)10(13)14-9/h1-5,13,16H/b13-10+.
What are the key properties of 4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine?
4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine has a molecular weight of 272.09 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine is sourced from PubChem (CID 56998483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).