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

C10H5Br2F2N3 — CID 107539770

IUPAC5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)c(F)c2Br)ncc1Br
InChIInChI=1S/C10H5Br2F2N3/c11-5-3-16-10(17-9(5)15)4-1-2-6(13)8(14)7(4)12/h1-3H,(H2,15,16,17)
InChIKeyZCIZRQRXOPMCLH-UHFFFAOYSA-N
MW364.98 g/mol
LogP3.53
Rot. Bonds1

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

5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine (PubChem CID 107539770) has the molecular formula C10H5Br2F2N3 and a molecular weight of 364.98 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine
PubChem CID107539770
Molecular FormulaC10H5Br2F2N3
Molecular Weight364.98 g/mol
Exact Mass362.88
IUPAC Name5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)c(F)c2Br)ncc1Br
InChIInChI=1S/C10H5Br2F2N3/c11-5-3-16-10(17-9(5)15)4-1-2-6(13)8(14)7(4)12/h1-3H,(H2,15,16,17)
InChIKeyZCIZRQRXOPMCLH-UHFFFAOYSA-N
XLogP3.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.98
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carboxylate
CID 107541127
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
CID 107537902
2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carbaldehyde
CID 107540897
1-[2-(2-bromo-3,4-difluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 107540932
2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 107539786
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 107539759
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083
2-(2-bromo-3,4-difluorophenyl)pyrimidine-4-carbaldehyde
CID 107540895
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 107540920
5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine
CID 87425040
5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine
CID 130581487

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine (CID 107539770) is 5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine is Nc1nc(-c2ccc(F)c(F)c2Br)ncc1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine?
The InChIKey is ZCIZRQRXOPMCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2F2N3/c11-5-3-16-10(17-9(5)15)4-1-2-6(13)8(14)7(4)12/h1-3H,(H2,15,16,17).
What are the key properties of 5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine?
5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine has a molecular weight of 364.98 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 107539770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).