5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine

C15H18BrN3 — CID 66297457

IUPAC5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(C)c2C)nc(C)c1Br
InChIInChI=1S/C15H18BrN3/c1-5-17-15-13(16)11(4)18-14(19-15)12-8-6-7-9(2)10(12)3/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyPRXZKVQWSYMRMW-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.26
Rot. Bonds3

About 5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine

5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 66297457) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID66297457
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(C)c2C)nc(C)c1Br
InChIInChI=1S/C15H18BrN3/c1-5-17-15-13(16)11(4)18-14(19-15)12-8-6-7-9(2)10(12)3/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyPRXZKVQWSYMRMW-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine (CID 66297457) is 5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine is CCNc1nc(-c2cccc(C)c2C)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is PRXZKVQWSYMRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-5-17-15-13(16)11(4)18-14(19-15)12-8-6-7-9(2)10(12)3/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine?
5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dimethylphenyl)-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66297457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).