2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine

C16H20BrN3 — CID 62746332

IUPAC2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(Cc2cccc(Br)c2)nc1C
InChIInChI=1S/C16H20BrN3/c1-11-15(7-8-18-3)12(2)20-16(19-11)10-13-5-4-6-14(17)9-13/h4-6,9,18H,7-8,10H2,1-3H3
InChIKeyOHJSCGBAVAFPKO-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine

2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 62746332) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
PubChem CID62746332
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(Cc2cccc(Br)c2)nc1C
InChIInChI=1S/C16H20BrN3/c1-11-15(7-8-18-3)12(2)20-16(19-11)10-13-5-4-6-14(17)9-13/h4-6,9,18H,7-8,10H2,1-3H3
InChIKeyOHJSCGBAVAFPKO-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine (CID 62746332) is 2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine is CNCCc1c(C)nc(Cc2cccc(Br)c2)nc1C.
What is the InChIKey of 2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is OHJSCGBAVAFPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11-15(7-8-18-3)12(2)20-16(19-11)10-13-5-4-6-14(17)9-13/h4-6,9,18H,7-8,10H2,1-3H3.
What are the key properties of 2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine?
2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 334.26 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 62746332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).