2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

C14H15BrClN3 — CID 66160720

IUPAC2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2cc(Cl)ccc2Br)nc1NC
InChIInChI=1S/C14H15BrClN3/c1-4-10-8(2)18-14(19-13(10)17-3)11-7-9(16)5-6-12(11)15/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyHSIDSHQPSQWMJG-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.47
Rot. Bonds3

About 2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 66160720) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID66160720
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC Name2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2cc(Cl)ccc2Br)nc1NC
InChIInChI=1S/C14H15BrClN3/c1-4-10-8(2)18-14(19-13(10)17-3)11-7-9(16)5-6-12(11)15/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyHSIDSHQPSQWMJG-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (CID 66160720) is 2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is CCc1c(C)nc(-c2cc(Cl)ccc2Br)nc1NC.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is HSIDSHQPSQWMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-4-10-8(2)18-14(19-13(10)17-3)11-7-9(16)5-6-12(11)15/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 340.65 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66160720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).