5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine

C14H16BrN3O — CID 133384195

IUPAC5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCCN(Cc1ccc(OC)cc1)c1ncc(Br)cn1
InChIInChI=1S/C14H16BrN3O/c1-3-18(14-16-8-12(15)9-17-14)10-11-4-6-13(19-2)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyJFHGYAISCHQEPT-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.27
Rot. Bonds5

About 5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine

5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 133384195) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID133384195
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCCN(Cc1ccc(OC)cc1)c1ncc(Br)cn1
InChIInChI=1S/C14H16BrN3O/c1-3-18(14-16-8-12(15)9-17-14)10-11-4-6-13(19-2)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyJFHGYAISCHQEPT-UHFFFAOYSA-N
XLogP3.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine;5-bromopyrimidin-2-amine;1-(chloromethyl)-4-methoxybenzene;hydride
CID 157180861
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
N-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 162374398
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
CID 110180031
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
6-bromo-7-fluoro-N,N-bis[(4-methoxyphenyl)methyl]isoquinolin-3-amine
CID 176695054
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 133423616

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine (CID 133384195) is 5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine is CCN(Cc1ccc(OC)cc1)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is JFHGYAISCHQEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-18(14-16-8-12(15)9-17-14)10-11-4-6-13(19-2)7-5-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 133384195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).