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

C13H11Cl2FN2 — CID 113324916

IUPAC4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H11Cl2FN2/c1-7(2)11-12(17-6-18-13(11)15)9-4-3-8(16)5-10(9)14/h3-7H,1-2H3
InChIKeyRLEZEWDULBIHNW-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.71
Rot. Bonds2

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

4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine (PubChem CID 113324916) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine
PubChem CID113324916
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H11Cl2FN2/c1-7(2)11-12(17-6-18-13(11)15)9-4-3-8(16)5-10(9)14/h3-7H,1-2H3
InChIKeyRLEZEWDULBIHNW-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(2-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324911
4-chloro-6-(2-fluoro-3-methoxyphenyl)-5-propan-2-ylpyrimidine
CID 82810915
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503
2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine
CID 178073316
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173
4-chloro-6-(2-chloro-4-fluorophenyl)pyrimidine
CID 24902070
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 107614909
2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine
CID 154672751
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63728275
4-chloro-6-(2-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde
CID 113324917
3-(2-chloro-4-fluorophenyl)-1H-pyrazin-2-one
CID 106520984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine (CID 113324916) is 4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine?
The InChIKey is RLEZEWDULBIHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-7(2)11-12(17-6-18-13(11)15)9-4-3-8(16)5-10(9)14/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine?
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine has a molecular weight of 285.15 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 113324916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).