2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine

C13H13Cl2N2O2P — CID 134457589

IUPAC2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine
SMILESCP(C)(=O)c1ccc(Cl)c(COc2cnc(Cl)nc2)c1
InChIInChI=1S/C13H13Cl2N2O2P/c1-20(2,18)11-3-4-12(14)9(5-11)8-19-10-6-16-13(15)17-7-10/h3-7H,8H2,1-2H3
InChIKeyGSTSBGFZWAAQLZ-UHFFFAOYSA-N
MW331.14 g/mol
LogP3.61
Rot. Bonds4

About 2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine

2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine (PubChem CID 134457589) has the molecular formula C13H13Cl2N2O2P and a molecular weight of 331.14 g/mol. Its IUPAC name is 2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine
PubChem CID134457589
Molecular FormulaC13H13Cl2N2O2P
Molecular Weight331.14 g/mol
Exact Mass330.01
IUPAC Name2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine
SMILESCP(C)(=O)c1ccc(Cl)c(COc2cnc(Cl)nc2)c1
InChIInChI=1S/C13H13Cl2N2O2P/c1-20(2,18)11-3-4-12(14)9(5-11)8-19-10-6-16-13(15)17-7-10/h3-7H,8H2,1-2H3
InChIKeyGSTSBGFZWAAQLZ-UHFFFAOYSA-N
XLogP3.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(2-chloropyrimidin-5-yl)oxymethyl]benzonitrile
CID 142330662
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
[5-[(2-chloro-5-fluorophenyl)methoxy]-2-pyridinyl]methanol
CID 102616515
N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781870
2-chloro-5-(methoxymethoxy)pyrimidine
CID 156871800
(2-chloropyrimidin-5-yl) ethanesulfonate
CID 175236462
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
4-chloro-3-[[2-[2-methyl-6-(methylamino)anilino]pyrimidin-5-yl]oxymethyl]benzamide;prop-2-enal
CID 142330746
2-chloro-5-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106500719
2-chloro-5-[(2-chloro-3,5-dimethoxy-6-methylphenyl)methoxy]pyrimidine
CID 90166295
4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
CID 102619550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine?
The IUPAC name of 2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine (CID 134457589) is 2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine is CP(C)(=O)c1ccc(Cl)c(COc2cnc(Cl)nc2)c1.
What is the InChIKey of 2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine?
The InChIKey is GSTSBGFZWAAQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N2O2P/c1-20(2,18)11-3-4-12(14)9(5-11)8-19-10-6-16-13(15)17-7-10/h3-7H,8H2,1-2H3.
What are the key properties of 2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine?
2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine has a molecular weight of 331.14 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-chloro-5-dimethylphosphorylphenyl)methoxy]pyrimidine is sourced from PubChem (CID 134457589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).