2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine

C14H16BrN3 — CID 62491546

IUPAC2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cncnc1
InChIInChI=1S/C14H16BrN3/c1-2-18-14(12-8-16-10-17-9-12)7-11-4-3-5-13(15)6-11/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyIFISESUXEFHFHJ-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.13
Rot. Bonds5

About 2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine

2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine (PubChem CID 62491546) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
PubChem CID62491546
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
SMILESCCNC(Cc1cccc(Br)c1)c1cncnc1
InChIInChI=1S/C14H16BrN3/c1-2-18-14(12-8-16-10-17-9-12)7-11-4-3-5-13(15)6-11/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyIFISESUXEFHFHJ-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105089518
N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine
CID 102923282
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923349
2-(3-bromophenyl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105089739
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247
2-(3-bromophenyl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 63508792
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 60818969
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine (CID 62491546) is 2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine is CCNC(Cc1cccc(Br)c1)c1cncnc1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine?
The InChIKey is IFISESUXEFHFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-18-14(12-8-16-10-17-9-12)7-11-4-3-5-13(15)6-11/h3-6,8-10,14,18H,2,7H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine?
2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine has a molecular weight of 306.21 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 62491546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).