6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine

C13H11Br2F2N3 — CID 107614831

IUPAC6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Br)cc(Nc2cc(F)c(Br)cc2F)n1
InChIInChI=1S/C13H11Br2F2N3/c1-6(2)13-19-11(15)5-12(20-13)18-10-4-8(16)7(14)3-9(10)17/h3-6H,1-2H3,(H,18,19,20)
InChIKeySNQFEOJRLLTABD-UHFFFAOYSA-N
MW407.06 g/mol
LogP5.15
Rot. Bonds3

About 6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine

6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 107614831) has the molecular formula C13H11Br2F2N3 and a molecular weight of 407.06 g/mol. Its IUPAC name is 6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID107614831
Molecular FormulaC13H11Br2F2N3
Molecular Weight407.06 g/mol
Exact Mass404.93
IUPAC Name6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Br)cc(Nc2cc(F)c(Br)cc2F)n1
InChIInChI=1S/C13H11Br2F2N3/c1-6(2)13-19-11(15)5-12(20-13)18-10-4-8(16)7(14)3-9(10)17/h3-6H,1-2H3,(H,18,19,20)
InChIKeySNQFEOJRLLTABD-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.06
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-N-(5-bromo-2,4-difluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 102855477
6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 103416320
4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955693
4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955572
4-N-(4-bromo-2,5-difluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107608342
4-N-(4-bromo-2,5-difluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107608393
N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 104780296
6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80956479
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 107608457
2-N-(4-bromo-2,5-difluorophenyl)pyridine-2,5-diamine
CID 107608978
6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 106194655
4-bromo-N-[1-(3,5-dimethylphenyl)ethyl]-2,5-difluoroaniline
CID 107609450

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine (CID 107614831) is 6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Br)cc(Nc2cc(F)c(Br)cc2F)n1.
What is the InChIKey of 6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is SNQFEOJRLLTABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2F2N3/c1-6(2)13-19-11(15)5-12(20-13)18-10-4-8(16)7(14)3-9(10)17/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of 6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine?
6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 407.06 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107614831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).