4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine

C13H11Cl3N2 — CID 79441111

IUPAC4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(-c2cccc(Cl)c2)c(Cl)n1
InChIInChI=1S/C13H11Cl3N2/c1-2-4-10-17-12(15)11(13(16)18-10)8-5-3-6-9(14)7-8/h3,5-7H,2,4H2,1H3
InChIKeyHIMDBSHLTQYZNQ-UHFFFAOYSA-N
MW301.60 g/mol
LogP5.06
Rot. Bonds3

About 4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine

4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine (PubChem CID 79441111) has the molecular formula C13H11Cl3N2 and a molecular weight of 301.60 g/mol. Its IUPAC name is 4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
PubChem CID79441111
Molecular FormulaC13H11Cl3N2
Molecular Weight301.60 g/mol
Exact Mass300.00
IUPAC Name4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(-c2cccc(Cl)c2)c(Cl)n1
InChIInChI=1S/C13H11Cl3N2/c1-2-4-10-17-12(15)11(13(16)18-10)8-5-3-6-9(14)7-8/h3,5-7H,2,4H2,1H3
InChIKeyHIMDBSHLTQYZNQ-UHFFFAOYSA-N
XLogP5.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.60
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 79441038
4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine
CID 79417714
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
CID 66291931
4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66293774
5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
CID 79440116
5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine
CID 79440504
5,7-dichloro-6-(3-chlorophenyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104818858
8-bromo-4,6-dichloro-2-propylquinazoline
CID 106583968
4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
CID 79441260
7-chloro-2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269954
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine (CID 79441111) is 4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine is CCCc1nc(Cl)c(-c2cccc(Cl)c2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine?
The InChIKey is HIMDBSHLTQYZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2/c1-2-4-10-17-12(15)11(13(16)18-10)8-5-3-6-9(14)7-8/h3,5-7H,2,4H2,1H3.
What are the key properties of 4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine?
4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine has a molecular weight of 301.60 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine is sourced from PubChem (CID 79441111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).