3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine

C15H18BrN3 — CID 116898418

IUPAC3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1nccc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H18BrN3/c1-15(2,10-17)9-14-18-8-7-13(19-14)11-3-5-12(16)6-4-11/h3-8H,9-10,17H2,1-2H3
InChIKeyBETKLBMBJGBXLU-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.43
Rot. Bonds4

About 3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine

3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine (PubChem CID 116898418) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine
PubChem CID116898418
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1nccc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H18BrN3/c1-15(2,10-17)9-14-18-8-7-13(19-14)11-3-5-12(16)6-4-11/h3-8H,9-10,17H2,1-2H3
InChIKeyBETKLBMBJGBXLU-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine
CID 116897638
2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol
CID 116899542
1-[4-(4-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine
CID 82666280
3-[4-(4-bromophenyl)pyrimidin-2-yl]propanenitrile
CID 116901088
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine
CID 116893114
4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
CID 116903672
[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82473712
3-[4-(3-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropanoic acid
CID 116900061
2,2-dimethyl-3-(4-pyridin-4-ylpyrimidin-2-yl)propanoic acid
CID 116900064
2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine
CID 116898451
3-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]propan-1-amine
CID 116898098

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine (CID 116898418) is 3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine is CC(C)(CN)Cc1nccc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is BETKLBMBJGBXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-15(2,10-17)9-14-18-8-7-13(19-14)11-3-5-12(16)6-4-11/h3-8H,9-10,17H2,1-2H3.
What are the key properties of 3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine?
3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116898418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).