4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine

C13H10Cl4N2 — CID 63613499

IUPAC4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2c(Cl)cccc2Cl)nc1Cl
InChIInChI=1S/C13H10Cl4N2/c1-2-4-7-11(16)18-13(19-12(7)17)10-8(14)5-3-6-9(10)15/h3,5-6H,2,4H2,1H3
InChIKeyFRDKPXPGPVZUOM-UHFFFAOYSA-N
MW336.05 g/mol
LogP5.71
Rot. Bonds3

About 4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine

4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine (PubChem CID 63613499) has the molecular formula C13H10Cl4N2 and a molecular weight of 336.05 g/mol. Its IUPAC name is 4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine
PubChem CID63613499
Molecular FormulaC13H10Cl4N2
Molecular Weight336.05 g/mol
Exact Mass333.96
IUPAC Name4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2c(Cl)cccc2Cl)nc1Cl
InChIInChI=1S/C13H10Cl4N2/c1-2-4-7-11(16)18-13(19-12(7)17)10-8(14)5-3-6-9(10)15/h3,5-6H,2,4H2,1H3
InChIKeyFRDKPXPGPVZUOM-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.05
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine
CID 104816907
4,6-dichloro-2-phenyl-5-propylpyrimidine
CID 46705663
2-(2,6-dichlorophenyl)-6-propylpyrimidin-4-amine
CID 62202996
4,6-dichloro-2-(2-ethylphenyl)-5-propylpyrimidine
CID 63613349
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658
3-chloro-2-propylphenol
CID 15747295
4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine
CID 106847790
4,6-dichloro-2-(1-chloroethyl)-5-propylpyrimidine
CID 80664816
6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline
CID 63611491
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine
CID 103083580
2-(2,6-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 55220126
2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
CID 107923785

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine (CID 63613499) is 4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine is CCCc1c(Cl)nc(-c2c(Cl)cccc2Cl)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine?
The InChIKey is FRDKPXPGPVZUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl4N2/c1-2-4-7-11(16)18-13(19-12(7)17)10-8(14)5-3-6-9(10)15/h3,5-6H,2,4H2,1H3.
What are the key properties of 4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine?
4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine has a molecular weight of 336.05 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine is sourced from PubChem (CID 63613499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).