5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine

C11H9Br2FN4 — CID 104781960

IUPAC5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H9Br2FN4/c1-15-11-16-5-8(13)10(18-11)17-6-2-3-9(14)7(12)4-6/h2-5H,1H3,(H2,15,16,17,18)
InChIKeyVBWGEHOCUCZMRC-UHFFFAOYSA-N
MW376.03 g/mol
LogP3.93
Rot. Bonds3

About 5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 104781960) has the molecular formula C11H9Br2FN4 and a molecular weight of 376.03 g/mol. Its IUPAC name is 5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID104781960
Molecular FormulaC11H9Br2FN4
Molecular Weight376.03 g/mol
Exact Mass373.92
IUPAC Name5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H9Br2FN4/c1-15-11-16-5-8(13)10(18-11)17-6-2-3-9(14)7(12)4-6/h2-5H,1H3,(H2,15,16,17,18)
InChIKeyVBWGEHOCUCZMRC-UHFFFAOYSA-N
XLogP3.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.03
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825733
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761431
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032
5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761231
5-bromo-4-N-(2,4-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759983
4-N-(3-bromo-4-fluorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 104781958
2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
5-bromo-4-N-(3-chloro-4-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80755640
5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780077
5-bromo-2-N-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728679
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761234

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 104781960) is 5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(Nc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is VBWGEHOCUCZMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2FN4/c1-15-11-16-5-8(13)10(18-11)17-6-2-3-9(14)7(12)4-6/h2-5H,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 376.03 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 104781960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).