4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine

C13H11Cl3N2O — CID 63735554

IUPAC4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O/c1-2-3-9-12(16)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,2-3H2,1H3
InChIKeySMPSIQJDTXBFKA-UHFFFAOYSA-N
MW317.60 g/mol
LogP5.18
Rot. Bonds4

About 4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine

4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine (PubChem CID 63735554) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
PubChem CID63735554
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O/c1-2-3-9-12(16)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,2-3H2,1H3
InChIKeySMPSIQJDTXBFKA-UHFFFAOYSA-N
XLogP5.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.60
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,5-dichlorophenoxy)-5-propylpyrimidine
CID 63735881
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664674
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine
CID 63735722
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
CID 63734722
6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80864915
[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789
4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
CID 107723178
5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline
CID 103044702
4-chloro-6-phenylmethoxy-5-propylpyrimidine
CID 63735015

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine (CID 63735554) is 4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine is CCCc1c(Cl)ncnc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine?
The InChIKey is SMPSIQJDTXBFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-2-3-9-12(16)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,2-3H2,1H3.
What are the key properties of 4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine?
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine has a molecular weight of 317.60 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine is sourced from PubChem (CID 63735554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).