5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine

C10H5BrF4N4 — CID 107647123

IUPAC5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(Nc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C10H5BrF4N4/c11-3-2-17-10(16)19-9(3)18-8-6(14)4(12)1-5(13)7(8)15/h1-2H,(H3,16,17,18,19)
InChIKeyBAFPDFYWKJJMIE-UHFFFAOYSA-N
MW337.07 g/mol
LogP3.12
Rot. Bonds2

About 5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine

5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine (PubChem CID 107647123) has the molecular formula C10H5BrF4N4 and a molecular weight of 337.07 g/mol. Its IUPAC name is 5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
PubChem CID107647123
Molecular FormulaC10H5BrF4N4
Molecular Weight337.07 g/mol
Exact Mass335.96
IUPAC Name5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Br)c(Nc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C10H5BrF4N4/c11-3-2-17-10(16)19-9(3)18-8-6(14)4(12)1-5(13)7(8)15/h1-2H,(H3,16,17,18,19)
InChIKeyBAFPDFYWKJJMIE-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.07
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
CID 107643323
5-bromo-4-N-(2-bromo-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107639334
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125
5-bromo-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80797339
4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80847198
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
5-fluoro-2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647119
5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine
CID 107645852
5-bromo-4-N-(2-bromo-5-iodophenyl)pyrimidine-2,4-diamine
CID 114261712
5-bromo-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80762038
5-bromo-2-N-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825733
5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850623

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine (CID 107647123) is 5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine is Nc1ncc(Br)c(Nc2c(F)c(F)cc(F)c2F)n1.
What is the InChIKey of 5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is BAFPDFYWKJJMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF4N4/c11-3-2-17-10(16)19-9(3)18-8-6(14)4(12)1-5(13)7(8)15/h1-2H,(H3,16,17,18,19).
What are the key properties of 5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 337.07 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107647123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).