3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine

C16H20BrN3 — CID 116893114

IUPAC3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine
SMILESCc1cc(-c2cccc(Br)c2)nc(CC(C)(C)CN)n1
InChIInChI=1S/C16H20BrN3/c1-11-7-14(12-5-4-6-13(17)8-12)20-15(19-11)9-16(2,3)10-18/h4-8H,9-10,18H2,1-3H3
InChIKeyAMQXNJNIJLFNIC-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.74
Rot. Bonds4

About 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine

3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine (PubChem CID 116893114) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine
PubChem CID116893114
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine
SMILESCc1cc(-c2cccc(Br)c2)nc(CC(C)(C)CN)n1
InChIInChI=1S/C16H20BrN3/c1-11-7-14(12-5-4-6-13(17)8-12)20-15(19-11)9-16(2,3)10-18/h4-8H,9-10,18H2,1-3H3
InChIKeyAMQXNJNIJLFNIC-UHFFFAOYSA-N
XLogP3.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
3-(2-ethyl-6-methylpyrimidin-4-yl)aniline
CID 105466933
4-(3-bromophenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894958
[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 62743751
3-[4-(3-bromophenyl)pyrimidin-2-yl]-2,2-dimethylpropanoic acid
CID 116900061
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964967
2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine
CID 59342158
2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 57468745
2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine
CID 57468750
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 115504032
2,2-dimethyl-3-(6-methyl-2-pyridinyl)propan-1-amine
CID 130514638
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865446

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine (CID 116893114) is 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine is Cc1cc(-c2cccc(Br)c2)nc(CC(C)(C)CN)n1.
What is the InChIKey of 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is AMQXNJNIJLFNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11-7-14(12-5-4-6-13(17)8-12)20-15(19-11)9-16(2,3)10-18/h4-8H,9-10,18H2,1-3H3.
What are the key properties of 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine?
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116893114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).