2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine

C13H14BrN3 — CID 116897638

IUPAC2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine
SMILESCC(C)(N)c1nccc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3/c1-13(2,15)12-16-8-7-11(17-12)9-3-5-10(14)6-4-9/h3-8H,15H2,1-2H3
InChIKeyDRABMLPLEOVMGG-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.10
Rot. Bonds2

About 2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine

2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine (PubChem CID 116897638) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine
PubChem CID116897638
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine
SMILESCC(C)(N)c1nccc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3/c1-13(2,15)12-16-8-7-11(17-12)9-3-5-10(14)6-4-9/h3-8H,15H2,1-2H3
InChIKeyDRABMLPLEOVMGG-UHFFFAOYSA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine?
The IUPAC name of 2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine (CID 116897638) is 2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine.
What is the SMILES notation for 2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine?
The canonical SMILES for 2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine is CC(C)(N)c1nccc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine?
The InChIKey is DRABMLPLEOVMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-13(2,15)12-16-8-7-11(17-12)9-3-5-10(14)6-4-9/h3-8H,15H2,1-2H3.
What are the key properties of 2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine?
2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine has a molecular weight of 292.18 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine is sourced from PubChem (CID 116897638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).