4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine

C15H18BrN3 — CID 116893049

IUPAC4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine
SMILESCc1cc(-c2ccc(Br)cc2)nc(CCC(C)N)n1
InChIInChI=1S/C15H18BrN3/c1-10(17)3-8-15-18-11(2)9-14(19-15)12-4-6-13(16)7-5-12/h4-7,9-10H,3,8,17H2,1-2H3
InChIKeyIYOVRKNLHCZNAN-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.49
Rot. Bonds4

About 4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine

4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine (PubChem CID 116893049) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine
PubChem CID116893049
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine
SMILESCc1cc(-c2ccc(Br)cc2)nc(CCC(C)N)n1
InChIInChI=1S/C15H18BrN3/c1-10(17)3-8-15-18-11(2)9-14(19-15)12-4-6-13(16)7-5-12/h4-7,9-10H,3,8,17H2,1-2H3
InChIKeyIYOVRKNLHCZNAN-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methanethiol
CID 116894484
N-[[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]methyl]propan-2-amine
CID 116893210
4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butanoic acid
CID 116894139
[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192450
4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893070
(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
CID 131320571
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893068
1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propan-2-amine
CID 116892762
4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine
CID 70659256

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine?
The IUPAC name of 4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine (CID 116893049) is 4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine.
What is the SMILES notation for 4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine?
The canonical SMILES for 4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine is Cc1cc(-c2ccc(Br)cc2)nc(CCC(C)N)n1.
What is the InChIKey of 4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine?
The InChIKey is IYOVRKNLHCZNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10(17)3-8-15-18-11(2)9-14(19-15)12-4-6-13(16)7-5-12/h4-7,9-10H,3,8,17H2,1-2H3.
What are the key properties of 4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine?
4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine is sourced from PubChem (CID 116893049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).