3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine

C10H7BrClFN4 — CID 175582785

IUPAC3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine
SMILESNc1ccc(F)c(Nc2nc(Cl)ncc2Br)c1
InChIInChI=1S/C10H7BrClFN4/c11-6-4-15-10(12)17-9(6)16-8-3-5(14)1-2-7(8)13/h1-4H,14H2,(H,15,16,17)
InChIKeyTWJBTYSSARSQPE-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.36
Rot. Bonds2

About 3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine

3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine (PubChem CID 175582785) has the molecular formula C10H7BrClFN4 and a molecular weight of 317.55 g/mol. Its IUPAC name is 3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine
PubChem CID175582785
Molecular FormulaC10H7BrClFN4
Molecular Weight317.55 g/mol
Exact Mass315.95
IUPAC Name3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine
SMILESNc1ccc(F)c(Nc2nc(Cl)ncc2Br)c1
InChIInChI=1S/C10H7BrClFN4/c11-6-4-15-10(12)17-9(6)16-8-3-5(14)1-2-7(8)13/h1-4H,14H2,(H,15,16,17)
InChIKeyTWJBTYSSARSQPE-UHFFFAOYSA-N
XLogP3.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
5-bromo-2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79076572
5-bromo-2-chloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79076577
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine
CID 82820362
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
5-bromo-4-N-(2-fluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755125
4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
CID 80788273

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine?
The IUPAC name of 3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine (CID 175582785) is 3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine.
What is the SMILES notation for 3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine?
The canonical SMILES for 3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine is Nc1ccc(F)c(Nc2nc(Cl)ncc2Br)c1.
What is the InChIKey of 3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine?
The InChIKey is TWJBTYSSARSQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN4/c11-6-4-15-10(12)17-9(6)16-8-3-5(14)1-2-7(8)13/h1-4H,14H2,(H,15,16,17).
What are the key properties of 3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine?
3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine has a molecular weight of 317.55 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine is sourced from PubChem (CID 175582785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).