N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine

C10H5BrCl2FN3 — CID 107614995

IUPACN-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H5BrCl2FN3/c11-6-2-1-5(3-7(6)12)16-9-8(14)4-15-10(13)17-9/h1-4H,(H,15,16,17)
InChIKeyULECGQZEZOAUKK-UHFFFAOYSA-N
MW336.98 g/mol
LogP4.43
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine

N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 107614995) has the molecular formula C10H5BrCl2FN3 and a molecular weight of 336.98 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
PubChem CID107614995
Molecular FormulaC10H5BrCl2FN3
Molecular Weight336.98 g/mol
Exact Mass334.90
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H5BrCl2FN3/c11-6-2-1-5(3-7(6)12)16-9-8(14)4-15-10(13)17-9/h1-4H,(H,15,16,17)
InChIKeyULECGQZEZOAUKK-UHFFFAOYSA-N
XLogP4.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.98
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072741
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
2-chloro-5-fluoro-N-naphthalen-2-ylpyrimidin-4-amine
CID 79081850
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 79080683
5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79081237
N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
2-chloro-5-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22061152

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine (CID 107614995) is N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is ULECGQZEZOAUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2FN3/c11-6-2-1-5(3-7(6)12)16-9-8(14)4-15-10(13)17-9/h1-4H,(H,15,16,17).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine?
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 336.98 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 107614995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).