N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine

C10H6BrClFN3 — CID 61279571

IUPACN-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine
SMILESFc1ccc(Nc2cc(Cl)ncn2)c(Br)c1
InChIInChI=1S/C10H6BrClFN3/c11-7-3-6(13)1-2-8(7)16-10-4-9(12)14-5-15-10/h1-5H,(H,14,15,16)
InChIKeyOOACQJGQSPUSLW-UHFFFAOYSA-N
MW302.53 g/mol
LogP3.78
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine

N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine (PubChem CID 61279571) has the molecular formula C10H6BrClFN3 and a molecular weight of 302.53 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine
PubChem CID61279571
Molecular FormulaC10H6BrClFN3
Molecular Weight302.53 g/mol
Exact Mass300.94
IUPAC NameN-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine
SMILESFc1ccc(Nc2cc(Cl)ncn2)c(Br)c1
InChIInChI=1S/C10H6BrClFN3/c11-7-3-6(13)1-2-8(7)16-10-4-9(12)14-5-15-10/h1-5H,(H,14,15,16)
InChIKeyOOACQJGQSPUSLW-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
5-bromo-N-(2-bromo-4-fluorophenyl)-4-methylpyridin-2-amine
CID 114870130
N-(2,4-dibromophenyl)-6-fluoropyrimidin-4-amine
CID 115416669
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-(2-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 28939546
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 43808120
N-(2-bromo-4-fluorophenyl)-3,5,6-trichloropyridin-2-amine
CID 102749919
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
N-(2-bromo-4-fluorophenyl)-2-chloropyridine-4-sulfonamide
CID 54895435

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine (CID 61279571) is N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine is Fc1ccc(Nc2cc(Cl)ncn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine?
The InChIKey is OOACQJGQSPUSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3/c11-7-3-6(13)1-2-8(7)16-10-4-9(12)14-5-15-10/h1-5H,(H,14,15,16).
What are the key properties of N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine?
N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine has a molecular weight of 302.53 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine is sourced from PubChem (CID 61279571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).