4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine

C10H7BrClFN4 — CID 80788273

IUPAC4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C10H7BrClFN4/c11-5-1-2-7(13)8(3-5)16-9-6(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyKACBCIXXWMQLIZ-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.36
Rot. Bonds2

About 4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine

4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine (PubChem CID 80788273) has the molecular formula C10H7BrClFN4 and a molecular weight of 317.55 g/mol. Its IUPAC name is 4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
PubChem CID80788273
Molecular FormulaC10H7BrClFN4
Molecular Weight317.55 g/mol
Exact Mass315.95
IUPAC Name4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C10H7BrClFN4/c11-5-1-2-7(13)8(3-5)16-9-6(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyKACBCIXXWMQLIZ-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

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Related Compounds

4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80772789
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 103587802
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
CID 80755029
5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203
4-N-(2-bromo-5-methoxyphenyl)-5-chloropyrimidine-2,4-diamine
CID 80846775
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
5-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)pyridin-2-amine
CID 103583157
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
5-bromo-N-(5-bromo-2-fluorophenyl)pyrimidin-4-amine
CID 66342168

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine (CID 80788273) is 4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine is Nc1ncc(Cl)c(Nc2cc(Br)ccc2F)n1.
What is the InChIKey of 4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine?
The InChIKey is KACBCIXXWMQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN4/c11-5-1-2-7(13)8(3-5)16-9-6(12)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17).
What are the key properties of 4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine?
4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-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 4-N-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine is sourced from PubChem (CID 80788273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).