2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol

C17H21Cl2N2O5P — CID 170100452

IUPAC2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol
SMILESCCOP(C)(=O)COc1cc(Cl)c(Oc2ncc(O)c(C(C)C)n2)c(Cl)c1
InChIInChI=1S/C17H21Cl2N2O5P/c1-5-25-27(4,23)9-24-11-6-12(18)16(13(19)7-11)26-17-20-8-14(22)15(21-17)10(2)3/h6-8,10,22H,5,9H2,1-4H3
InChIKeyVZBXUXOVFJNPOD-UHFFFAOYSA-N
MW435.24 g/mol
LogP5.69
Rot. Bonds8

About 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol

2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol (PubChem CID 170100452) has the molecular formula C17H21Cl2N2O5P and a molecular weight of 435.24 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol.

Molecular Properties

Compound Name2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol
PubChem CID170100452
Molecular FormulaC17H21Cl2N2O5P
Molecular Weight435.24 g/mol
Exact Mass434.06
IUPAC Name2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol
SMILESCCOP(C)(=O)COc1cc(Cl)c(Oc2ncc(O)c(C(C)C)n2)c(Cl)c1
InChIInChI=1S/C17H21Cl2N2O5P/c1-5-25-27(4,23)9-24-11-6-12(18)16(13(19)7-11)26-17-20-8-14(22)15(21-17)10(2)3/h6-8,10,22H,5,9H2,1-4H3
InChIKeyVZBXUXOVFJNPOD-UHFFFAOYSA-N
XLogP5.69
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.24
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol?
The IUPAC name of 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol (CID 170100452) is 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol.
What is the SMILES notation for 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol?
The canonical SMILES for 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol is CCOP(C)(=O)COc1cc(Cl)c(Oc2ncc(O)c(C(C)C)n2)c(Cl)c1.
What is the InChIKey of 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol?
The InChIKey is VZBXUXOVFJNPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N2O5P/c1-5-25-27(4,23)9-24-11-6-12(18)16(13(19)7-11)26-17-20-8-14(22)15(21-17)10(2)3/h6-8,10,22H,5,9H2,1-4H3.
What are the key properties of 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol?
2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol has a molecular weight of 435.24 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-[[ethoxy(methyl)phosphoryl]methoxy]phenoxy]-4-propan-2-ylpyrimidin-5-ol is sourced from PubChem (CID 170100452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).