4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine

C13H13BrClFN4 — CID 107617760

IUPAC4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H13BrClFN4/c1-6(2)10-12(17)18-5-19-13(10)20-11-8(14)3-7(16)4-9(11)15/h3-6H,1-2H3,(H3,17,18,19,20)
InChIKeyUKXSIZRWKGRWGV-UHFFFAOYSA-N
MW359.63 g/mol
LogP4.48
Rot. Bonds3

About 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 107617760) has the molecular formula C13H13BrClFN4 and a molecular weight of 359.63 g/mol. Its IUPAC name is 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID107617760
Molecular FormulaC13H13BrClFN4
Molecular Weight359.63 g/mol
Exact Mass358.00
IUPAC Name4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H13BrClFN4/c1-6(2)10-12(17)18-5-19-13(10)20-11-8(14)3-7(16)4-9(11)15/h3-6H,1-2H3,(H3,17,18,19,20)
InChIKeyUKXSIZRWKGRWGV-UHFFFAOYSA-N
XLogP4.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 107614909
4-N-(4-bromo-2,6-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80847487
4-N-(5-bromo-2-chlorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80825284
4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107617734
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902
4-N-(3-bromo-5-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580991
4-N-(2-chloro-4-iodophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107604821
4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 83082644
2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 107610244
4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107623592
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 107614914
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841839

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 107617760) is 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is UKXSIZRWKGRWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFN4/c1-6(2)10-12(17)18-5-19-13(10)20-11-8(14)3-7(16)4-9(11)15/h3-6H,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 359.63 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 107617760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).