5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

C15H16Br2FN3 — CID 107281456

IUPAC5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cc2Br)nc(C(C)C)c1Br
InChIInChI=1S/C15H16Br2FN3/c1-4-19-15-12(17)13(8(2)3)20-14(21-15)10-6-5-9(18)7-11(10)16/h5-8H,4H2,1-3H3,(H,19,20,21)
InChIKeyGVHUGVDFMZTITC-UHFFFAOYSA-N
MW417.12 g/mol
LogP5.36
Rot. Bonds4

About 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 107281456) has the molecular formula C15H16Br2FN3 and a molecular weight of 417.12 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID107281456
Molecular FormulaC15H16Br2FN3
Molecular Weight417.12 g/mol
Exact Mass414.97
IUPAC Name5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cc2Br)nc(C(C)C)c1Br
InChIInChI=1S/C15H16Br2FN3/c1-4-19-15-12(17)13(8(2)3)20-14(21-15)10-6-5-9(18)7-11(10)16/h5-8H,4H2,1-3H3,(H,19,20,21)
InChIKeyGVHUGVDFMZTITC-UHFFFAOYSA-N
XLogP5.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.12
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 107281416
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 107281439
5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713731
5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66296402
N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 81272931
5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 81277953
5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
CID 79717868
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 81278021
5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297751
5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300310
N-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107280277

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine (CID 107281456) is 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2ccc(F)cc2Br)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is GVHUGVDFMZTITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2FN3/c1-4-19-15-12(17)13(8(2)3)20-14(21-15)10-6-5-9(18)7-11(10)16/h5-8H,4H2,1-3H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 417.12 g/mol, XLogP of 5.36, 4 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-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107281456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).