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

C15H18BrN3 — CID 115503721

IUPAC6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2ccccc2Br)c1C(C)C
InChIInChI=1S/C15H18BrN3/c1-4-17-15-13(10(2)3)14(18-9-19-15)11-7-5-6-8-12(11)16/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyFCBQPXGOLZMZIU-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.46
Rot. Bonds4

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

6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 115503721) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID115503721
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2ccccc2Br)c1C(C)C
InChIInChI=1S/C15H18BrN3/c1-4-17-15-13(10(2)3)14(18-9-19-15)11-7-5-6-8-12(11)16/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyFCBQPXGOLZMZIU-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine (CID 115503721) is 6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(-c2ccccc2Br)c1C(C)C.
What is the InChIKey of 6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is FCBQPXGOLZMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-4-17-15-13(10(2)3)14(18-9-19-15)11-7-5-6-8-12(11)16/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine?
6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 115503721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).