4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine

C11H5Cl4FN2 — CID 80550415

IUPAC4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine
SMILESFc1c(Cl)nc(Cc2ccc(Cl)c(Cl)c2)nc1Cl
InChIInChI=1S/C11H5Cl4FN2/c12-6-2-1-5(3-7(6)13)4-8-17-10(14)9(16)11(15)18-8/h1-3H,4H2
InChIKeyGSSMORNTZYZMFK-UHFFFAOYSA-N
MW325.99 g/mol
LogP4.82
Rot. Bonds2

About 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine

4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine (PubChem CID 80550415) has the molecular formula C11H5Cl4FN2 and a molecular weight of 325.99 g/mol. Its IUPAC name is 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine
PubChem CID80550415
Molecular FormulaC11H5Cl4FN2
Molecular Weight325.99 g/mol
Exact Mass323.92
IUPAC Name4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine
SMILESFc1c(Cl)nc(Cc2ccc(Cl)c(Cl)c2)nc1Cl
InChIInChI=1S/C11H5Cl4FN2/c12-6-2-1-5(3-7(6)13)4-8-17-10(14)9(16)11(15)18-8/h1-3H,4H2
InChIKeyGSSMORNTZYZMFK-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.99
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine
CID 63611985
6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 67332285
2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62190533
2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000630
4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine
CID 63868750
4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine
CID 63611318
2-[(3,4-dichlorophenyl)methyl]pyrimidine-4-carboxylic acid
CID 55114826
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63349689
2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63562496
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 112571960
[2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol
CID 114204957

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine (CID 80550415) is 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine is Fc1c(Cl)nc(Cc2ccc(Cl)c(Cl)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine?
The InChIKey is GSSMORNTZYZMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4FN2/c12-6-2-1-5(3-7(6)13)4-8-17-10(14)9(16)11(15)18-8/h1-3H,4H2.
What are the key properties of 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine?
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine has a molecular weight of 325.99 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine is sourced from PubChem (CID 80550415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).