2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine

C15H17BrClN3 — CID 115568211

IUPAC2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C15H17BrClN3/c1-3-5-11-9-14(18-4-2)20-15(19-11)10-6-7-13(17)12(16)8-10/h6-9H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyRUHILHSQGSGTKY-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.94
Rot. Bonds5

About 2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine

2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 115568211) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID115568211
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC Name2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C15H17BrClN3/c1-3-5-11-9-14(18-4-2)20-15(19-11)10-6-7-13(17)12(16)8-10/h6-9H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyRUHILHSQGSGTKY-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 63479985
N-ethyl-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823324
2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine
CID 82800968
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 63486628
2-(3-bromo-4-methylphenyl)-4-chloro-6-propylpyrimidine
CID 105407965
2-(3-chloro-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63484860
N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 62190374
2-(3-bromo-4-fluorophenyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 82787744
[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 113337351
2-(4-bromo-3-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66481080
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 63479481
2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
CID 115565759

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine (CID 115568211) is 2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is RUHILHSQGSGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-3-5-11-9-14(18-4-2)20-15(19-11)10-6-7-13(17)12(16)8-10/h6-9H,3-5H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine?
2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 354.68 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 115568211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).