5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine

C15H15BrCl2N2 — CID 79440504

IUPAC5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine
SMILESCC(C)CCc1nc(Cl)c(-c2cccc(Br)c2)c(Cl)n1
InChIInChI=1S/C15H15BrCl2N2/c1-9(2)6-7-12-19-14(17)13(15(18)20-12)10-4-3-5-11(16)8-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXFLQNRZNBCRMSZ-UHFFFAOYSA-N
MW374.11 g/mol
LogP5.80
Rot. Bonds4

About 5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine

5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine (PubChem CID 79440504) has the molecular formula C15H15BrCl2N2 and a molecular weight of 374.11 g/mol. Its IUPAC name is 5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine.

Molecular Properties

Compound Name5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine
PubChem CID79440504
Molecular FormulaC15H15BrCl2N2
Molecular Weight374.11 g/mol
Exact Mass371.98
IUPAC Name5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine
SMILESCC(C)CCc1nc(Cl)c(-c2cccc(Br)c2)c(Cl)n1
InChIInChI=1S/C15H15BrCl2N2/c1-9(2)6-7-12-19-14(17)13(15(18)20-12)10-4-3-5-11(16)8-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyXFLQNRZNBCRMSZ-UHFFFAOYSA-N
XLogP5.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.11
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromophenyl)-4,6-dichloro-2-(2-methylpropylsulfanylmethyl)pyrimidine
CID 79431673
5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
CID 79440116
4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine
CID 79437867
5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine
CID 79440195
4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 43560872
4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
CID 79441111
4,6-dichloro-5-(3-methylphenyl)-2-(2-methylpropylsulfanylmethyl)pyrimidine
CID 79422283
5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine
CID 79431669
2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole
CID 104771000
5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine
CID 79431944
4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine
CID 79417714
4-(3-bromophenyl)-3,5-dichloro-1H-pyrazole
CID 91806452

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine?
The IUPAC name of 5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine (CID 79440504) is 5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine.
What is the SMILES notation for 5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine?
The canonical SMILES for 5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine is CC(C)CCc1nc(Cl)c(-c2cccc(Br)c2)c(Cl)n1.
What is the InChIKey of 5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine?
The InChIKey is XFLQNRZNBCRMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2/c1-9(2)6-7-12-19-14(17)13(15(18)20-12)10-4-3-5-11(16)8-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine?
5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine has a molecular weight of 374.11 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine is sourced from PubChem (CID 79440504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).