2-chloro-4-pyrimidin-4-yloxyaniline

C10H8ClN3O — CID 62111624

IUPAC2-chloro-4-pyrimidin-4-yloxyaniline
SMILESNc1ccc(Oc2ccncn2)cc1Cl
InChIInChI=1S/C10H8ClN3O/c11-8-5-7(1-2-9(8)12)15-10-3-4-13-6-14-10/h1-6H,12H2
InChIKeyCBXIGFJLAKMPPS-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.50
Rot. Bonds2

About 2-chloro-4-pyrimidin-4-yloxyaniline

2-chloro-4-pyrimidin-4-yloxyaniline (PubChem CID 62111624) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-chloro-4-pyrimidin-4-yloxyaniline.

Molecular Properties

Compound Name2-chloro-4-pyrimidin-4-yloxyaniline
PubChem CID62111624
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name2-chloro-4-pyrimidin-4-yloxyaniline
SMILESNc1ccc(Oc2ccncn2)cc1Cl
InChIInChI=1S/C10H8ClN3O/c11-8-5-7(1-2-9(8)12)15-10-3-4-13-6-14-10/h1-6H,12H2
InChIKeyCBXIGFJLAKMPPS-UHFFFAOYSA-N
XLogP2.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyrimidin-4-yloxyaniline?
The IUPAC name of 2-chloro-4-pyrimidin-4-yloxyaniline (CID 62111624) is 2-chloro-4-pyrimidin-4-yloxyaniline.
What is the SMILES notation for 2-chloro-4-pyrimidin-4-yloxyaniline?
The canonical SMILES for 2-chloro-4-pyrimidin-4-yloxyaniline is Nc1ccc(Oc2ccncn2)cc1Cl.
What is the InChIKey of 2-chloro-4-pyrimidin-4-yloxyaniline?
The InChIKey is CBXIGFJLAKMPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-8-5-7(1-2-9(8)12)15-10-3-4-13-6-14-10/h1-6H,12H2.
What are the key properties of 2-chloro-4-pyrimidin-4-yloxyaniline?
2-chloro-4-pyrimidin-4-yloxyaniline has a molecular weight of 221.65 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrimidin-4-yloxyaniline is sourced from PubChem (CID 62111624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).