5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine

C10H5BrClF2N3 — CID 79076259

IUPAC5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(Cl)ncc2Br)cc1F
InChIInChI=1S/C10H5BrClF2N3/c11-6-4-15-10(12)17-9(6)16-5-1-2-7(13)8(14)3-5/h1-4H,(H,15,16,17)
InChIKeyDHCXXBDXIXDTLS-UHFFFAOYSA-N
MW320.52 g/mol
LogP3.91
Rot. Bonds2

About 5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine (PubChem CID 79076259) has the molecular formula C10H5BrClF2N3 and a molecular weight of 320.52 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
PubChem CID79076259
Molecular FormulaC10H5BrClF2N3
Molecular Weight320.52 g/mol
Exact Mass318.93
IUPAC Name5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(Cl)ncc2Br)cc1F
InChIInChI=1S/C10H5BrClF2N3/c11-6-4-15-10(12)17-9(6)16-5-1-2-7(13)8(14)3-5/h1-4H,(H,15,16,17)
InChIKeyDHCXXBDXIXDTLS-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
5-bromo-2-chloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79076577
2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 145420271
3-N-(5-bromo-2-chloropyrimidin-4-yl)-4-fluorobenzene-1,3-diamine
CID 175582785
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine
CID 82820362
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 79075532
4-[[5-bromo-4-(3,4-difluoroanilino)pyrimidin-2-yl]amino]benzoic acid;hydrochloride
CID 10411813

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine (CID 79076259) is 5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine is Fc1ccc(Nc2nc(Cl)ncc2Br)cc1F.
What is the InChIKey of 5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine?
The InChIKey is DHCXXBDXIXDTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClF2N3/c11-6-4-15-10(12)17-9(6)16-5-1-2-7(13)8(14)3-5/h1-4H,(H,15,16,17).
What are the key properties of 5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine has a molecular weight of 320.52 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 79076259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).