6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine

C10H8Cl2N4O2 — CID 14549391

IUPAC6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine
SMILES[H]/N=c1\nc(Oc2ccc(Cl)cc2Cl)cc(N)n1O
InChIInChI=1S/C10H8Cl2N4O2/c11-5-1-2-7(6(12)3-5)18-9-4-8(13)16(17)10(14)15-9/h1-4,14,17H,13H2/b14-10+
InChIKeyDVHZVSASHVEFSE-GXDHUFHOSA-N
MW287.11 g/mol
LogP2.28
Rot. Bonds2

About 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine

6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine (PubChem CID 14549391) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine
PubChem CID14549391
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine
SMILES[H]/N=c1\nc(Oc2ccc(Cl)cc2Cl)cc(N)n1O
InChIInChI=1S/C10H8Cl2N4O2/c11-5-1-2-7(6(12)3-5)18-9-4-8(13)16(17)10(14)15-9/h1-4,14,17H,13H2/b14-10+
InChIKeyDVHZVSASHVEFSE-GXDHUFHOSA-N
XLogP2.28
TPSA97.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine
CID 56998483
6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine
CID 154088620
6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine
CID 154114709
6-(2,4-dichlorophenoxy)pyridin-2-amine
CID 80653433
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
[6-(2,4-dichlorophenoxy)-2-pyridinyl]methanol
CID 62240040
6-(2,4-dichlorophenoxy)-2-(2-methylpropoxy)pyridin-3-amine
CID 43262149
6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine
CID 43262152
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127035449
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine?
The IUPAC name of 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine (CID 14549391) is 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine is [H]/N=c1\nc(Oc2ccc(Cl)cc2Cl)cc(N)n1O.
What is the InChIKey of 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine?
The InChIKey is DVHZVSASHVEFSE-GXDHUFHOSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c11-5-1-2-7(6(12)3-5)18-9-4-8(13)16(17)10(14)15-9/h1-4,14,17H,13H2/b14-10+.
What are the key properties of 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine?
6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine has a molecular weight of 287.11 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine is sourced from PubChem (CID 14549391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).