1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine

C16H20BrN3 — CID 62771903

IUPAC1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(Cc2cccc(Br)c2)nc1C
InChIInChI=1S/C16H20BrN3/c1-4-18-11(2)15-10-19-16(20-12(15)3)9-13-6-5-7-14(17)8-13/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyVHZDNZOAZZHXCR-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.81
Rot. Bonds5

About 1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine

1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine (PubChem CID 62771903) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
PubChem CID62771903
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(Cc2cccc(Br)c2)nc1C
InChIInChI=1S/C16H20BrN3/c1-4-18-11(2)15-10-19-16(20-12(15)3)9-13-6-5-7-14(17)8-13/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyVHZDNZOAZZHXCR-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770321
1-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63349046
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 62771730
N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770847
1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640634
1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 113291435
2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 55185799
2-[2-[(3-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 62746332
2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
CID 62770494
N-[1-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63349047
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 66153717
(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
CID 103431682

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine (CID 62771903) is 1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(Cc2cccc(Br)c2)nc1C.
What is the InChIKey of 1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine?
The InChIKey is VHZDNZOAZZHXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-4-18-11(2)15-10-19-16(20-12(15)3)9-13-6-5-7-14(17)8-13/h5-8,10-11,18H,4,9H2,1-3H3.
What are the key properties of 1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine?
1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine has a molecular weight of 334.26 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine is sourced from PubChem (CID 62771903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).