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

C15H16Br2FN3 — CID 107281439

IUPAC5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(F)cc2Br)nc(NCC)c1Br
InChIInChI=1S/C15H16Br2FN3/c1-3-5-12-13(17)15(19-4-2)21-14(20-12)10-7-6-9(18)8-11(10)16/h6-8H,3-5H2,1-2H3,(H,19,20,21)
InChIKeyZSWHPOMMODLEQO-UHFFFAOYSA-N
MW417.12 g/mol
LogP5.19
Rot. Bonds5

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

5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 107281439) 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-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID107281439
Molecular FormulaC15H16Br2FN3
Molecular Weight417.12 g/mol
Exact Mass414.97
IUPAC Name5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(F)cc2Br)nc(NCC)c1Br
InChIInChI=1S/C15H16Br2FN3/c1-3-5-12-13(17)15(19-4-2)21-14(20-12)10-7-6-9(18)8-11(10)16/h6-8H,3-5H2,1-2H3,(H,19,20,21)
InChIKeyZSWHPOMMODLEQO-UHFFFAOYSA-N
XLogP5.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.12
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 107281456
2-(2-bromo-4-fluorophenyl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 107281416
2-(2-bromo-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107283053
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66297874
5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66299647
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66305762
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800
5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
CID 103083799
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine (CID 107281439) is 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(F)cc2Br)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is ZSWHPOMMODLEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2FN3/c1-3-5-12-13(17)15(19-4-2)21-14(20-12)10-7-6-9(18)8-11(10)16/h6-8H,3-5H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 417.12 g/mol, XLogP of 5.19, 5 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-propylpyrimidin-4-amine is sourced from PubChem (CID 107281439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).