6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine

C11H9Cl2N3O2 — CID 154088620

IUPAC6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine
SMILES[H]/N=c1\cc(Oc2ccc(Cl)cc2Cl)nc(C)n1O
InChIInChI=1S/C11H9Cl2N3O2/c1-6-15-11(5-10(14)16(6)17)18-9-3-2-7(12)4-8(9)13/h2-5,14,17H,1H3/b14-10+
InChIKeyCJOFNNMLMLLMBR-GXDHUFHOSA-N
MW286.12 g/mol
LogP3.01
Rot. Bonds2

About 6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine

6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine (PubChem CID 154088620) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine
PubChem CID154088620
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine
SMILES[H]/N=c1\cc(Oc2ccc(Cl)cc2Cl)nc(C)n1O
InChIInChI=1S/C11H9Cl2N3O2/c1-6-15-11(5-10(14)16(6)17)18-9-3-2-7(12)4-8(9)13/h2-5,14,17H,1H3/b14-10+
InChIKeyCJOFNNMLMLLMBR-GXDHUFHOSA-N
XLogP3.01
TPSA71.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.01
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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Related Compounds

6-(2,4-dichlorophenoxy)-3-hydroxy-2-iminopyrimidin-4-amine
CID 14549391
4-(2,4-dichlorophenoxy)-1-hydroxypyrimidin-2-imine
CID 56998483
6-(2,4-dichlorophenoxy)-3-methylpyridine-2-carboxylic acid
CID 70146430
6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine
CID 154114709
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
4-[(4-chlorophenyl)sulfinylmethyl]-6-(2,4-dichlorophenoxy)-2-methylpyrimidine
CID 1479459
3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]-4-methylbenzoic acid
CID 66857600
[6-(2,4-dichlorophenoxy)-2-pyridinyl]methanol
CID 62240040
2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine
CID 13059758
5-(2,4-dichlorophenoxy)-1-methylpyrazole
CID 173078068
6-(2,4-dichlorophenoxy)pyridin-2-amine
CID 80653433
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine?
The IUPAC name of 6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine (CID 154088620) is 6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine?
The canonical SMILES for 6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine is [H]/N=c1\cc(Oc2ccc(Cl)cc2Cl)nc(C)n1O.
What is the InChIKey of 6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine?
The InChIKey is CJOFNNMLMLLMBR-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-6-15-11(5-10(14)16(6)17)18-9-3-2-7(12)4-8(9)13/h2-5,14,17H,1H3/b14-10+.
What are the key properties of 6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine?
6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine has a molecular weight of 286.12 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenoxy)-3-hydroxy-2-methylpyrimidin-4-imine is sourced from PubChem (CID 154088620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).