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

C13H10Cl4N2 — CID 63611985

IUPAC4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(Cc2ccc(Cl)c(Cl)c2)nc1Cl
InChIInChI=1S/C13H10Cl4N2/c1-2-8-12(16)18-11(19-13(8)17)6-7-3-4-9(14)10(15)5-7/h3-5H,2,6H2,1H3
InChIKeyVGMIMFCSZZAVAU-UHFFFAOYSA-N
MW336.05 g/mol
LogP5.24
Rot. Bonds3

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

4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine (PubChem CID 63611985) has the molecular formula C13H10Cl4N2 and a molecular weight of 336.05 g/mol. Its IUPAC name is 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine
PubChem CID63611985
Molecular FormulaC13H10Cl4N2
Molecular Weight336.05 g/mol
Exact Mass333.96
IUPAC Name4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(Cc2ccc(Cl)c(Cl)c2)nc1Cl
InChIInChI=1S/C13H10Cl4N2/c1-2-8-12(16)18-11(19-13(8)17)6-7-3-4-9(14)10(15)5-7/h3-5H,2,6H2,1H3
InChIKeyVGMIMFCSZZAVAU-UHFFFAOYSA-N
XLogP5.24
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 ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine
CID 80550415
4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine
CID 54898228
6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 67332285
2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63562496
2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62190533
1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane
CID 158320021
4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine
CID 63611318
4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
CID 63611306
(3,4-dichlorophenyl)methyl-ethyl-dimethylazanium chloride
CID 154734522
4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine
CID 63868750
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63349689

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine (CID 63611985) is 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine is CCc1c(Cl)nc(Cc2ccc(Cl)c(Cl)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine?
The InChIKey is VGMIMFCSZZAVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl4N2/c1-2-8-12(16)18-11(19-13(8)17)6-7-3-4-9(14)10(15)5-7/h3-5H,2,6H2,1H3.
What are the key properties of 4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine?
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine has a molecular weight of 336.05 g/mol, XLogP of 5.24, 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-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine is sourced from PubChem (CID 63611985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).