4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine

C10H7BrClFN4 — CID 80772789

IUPAC4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1ncc(F)c(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C10H7BrClFN4/c11-5-1-2-8(6(12)3-5)16-9-7(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyQXLUMRMCFPFPMM-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.36
Rot. Bonds2

About 4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine

4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 80772789) has the molecular formula C10H7BrClFN4 and a molecular weight of 317.55 g/mol. Its IUPAC name is 4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID80772789
Molecular FormulaC10H7BrClFN4
Molecular Weight317.55 g/mol
Exact Mass315.95
IUPAC Name4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1ncc(F)c(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C10H7BrClFN4/c11-5-1-2-8(6(12)3-5)16-9-7(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17)
InChIKeyQXLUMRMCFPFPMM-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-(5-bromo-2-fluorophenyl)-5-chloropyrimidine-2,4-diamine
CID 80788273
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
4-N-(2,3-dichlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80755046
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine
CID 102985399
4-N-(3-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 80761188
2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414
4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80847198
4-N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107580700
4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107638778
5-fluoro-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824688
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine (CID 80772789) is 4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine is Nc1ncc(F)c(Nc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is QXLUMRMCFPFPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN4/c11-5-1-2-8(6(12)3-5)16-9-7(13)4-15-10(14)17-9/h1-4H,(H3,14,15,16,17).
What are the key properties of 4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-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-(4-bromo-2-chlorophenyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80772789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).