4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine

C14H14Cl2N2O — CID 80952660

IUPAC4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine
SMILESCOc1ccc(Cl)cc1-c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H14Cl2N2O/c1-8(2)14-17-11(7-13(16)18-14)10-6-9(15)4-5-12(10)19-3/h4-8H,1-3H3
InChIKeyJSYJQPCVBZCGFK-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.58
Rot. Bonds3

About 4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine

4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine (PubChem CID 80952660) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine
PubChem CID80952660
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine
SMILESCOc1ccc(Cl)cc1-c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H14Cl2N2O/c1-8(2)14-17-11(7-13(16)18-14)10-6-9(15)4-5-12(10)19-3/h4-8H,1-3H3
InChIKeyJSYJQPCVBZCGFK-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952524
4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
CID 116811182
4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine
CID 114054131
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740
2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol
CID 82453379
4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952149
6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935773
6-(2,4-dimethoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80952332
8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline
CID 81222122

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine (CID 80952660) is 4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine is COc1ccc(Cl)cc1-c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine?
The InChIKey is JSYJQPCVBZCGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-8(2)14-17-11(7-13(16)18-14)10-6-9(15)4-5-12(10)19-3/h4-8H,1-3H3.
What are the key properties of 4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine?
4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine has a molecular weight of 297.19 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80952660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).