4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine

C13H11Cl2FN2 — CID 113324784

IUPAC4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11Cl2FN2/c1-2-3-9-12(17-7-18-13(9)15)8-4-5-11(16)10(14)6-8/h4-7H,2-3H2,1H3
InChIKeyRKULRTONVAWDFJ-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.54
Rot. Bonds3

About 4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine

4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine (PubChem CID 113324784) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine
PubChem CID113324784
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11Cl2FN2/c1-2-3-9-12(17-7-18-13(9)15)8-4-5-11(16)10(14)6-8/h4-7H,2-3H2,1H3
InChIKeyRKULRTONVAWDFJ-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
CID 113324741
4-chloro-5-propyl-6-(2,4,5-trifluorophenyl)pyrimidine
CID 113324556
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324911
4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine
CID 170985404
6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 115504286
4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734319
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
CID 63735554
4-chloro-6-(2,5-dichlorophenoxy)-5-propylpyrimidine
CID 63735881
6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine
CID 63790853
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 113452357
3,5-dichloro-6-(3-chloro-4-fluorophenyl)-N-ethylpyridin-2-amine
CID 102753798

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine (CID 113324784) is 4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine is CCCc1c(Cl)ncnc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine?
The InChIKey is RKULRTONVAWDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-2-3-9-12(17-7-18-13(9)15)8-4-5-11(16)10(14)6-8/h4-7H,2-3H2,1H3.
What are the key properties of 4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine?
4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine has a molecular weight of 285.15 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine is sourced from PubChem (CID 113324784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).