4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine

C13H11Cl3N2O — CID 80948461

IUPAC4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H11Cl3N2O/c1-7(2)13-17-10(15)6-11(18-13)19-9-5-3-4-8(14)12(9)16/h3-7H,1-2H3
InChIKeyJKYRBXUBANWGLI-UHFFFAOYSA-N
MW317.60 g/mol
LogP5.35
Rot. Bonds3

About 4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine

4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine (PubChem CID 80948461) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine
PubChem CID80948461
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H11Cl3N2O/c1-7(2)13-17-10(15)6-11(18-13)19-9-5-3-4-8(14)12(9)16/h3-7H,1-2H3
InChIKeyJKYRBXUBANWGLI-UHFFFAOYSA-N
XLogP5.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.60
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine
CID 113221056
4-chloro-2-propan-2-yl-6-[2-(trifluoromethyl)phenoxy]pyrimidine
CID 80944790
4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80943134
4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656
4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
CID 80949225
4-chloro-6-naphthalen-2-yloxy-2-propan-2-ylpyrimidine
CID 80944180
4-(3-bromophenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80948066
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80949504
4-chloro-6-(3-methylsulfonylphenoxy)-2-propan-2-ylpyrimidine
CID 80944929
4-(4-tert-butylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944176
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657756
4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
CID 116811182

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine (CID 80948461) is 4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(Oc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine?
The InChIKey is JKYRBXUBANWGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-7(2)13-17-10(15)6-11(18-13)19-9-5-3-4-8(14)12(9)16/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine?
4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine has a molecular weight of 317.60 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dichlorophenoxy)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80948461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).