2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine

C12H12BrN3 — CID 63987893

IUPAC2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine
SMILESNC(Cc1cccc(Br)c1)c1ccncn1
InChIInChI=1S/C12H12BrN3/c13-10-3-1-2-9(6-10)7-11(14)12-4-5-15-8-16-12/h1-6,8,11H,7,14H2
InChIKeyGTHAAJDZCLRADV-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.48
Rot. Bonds3

About 2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine

2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine (PubChem CID 63987893) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine
PubChem CID63987893
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine
SMILESNC(Cc1cccc(Br)c1)c1ccncn1
InChIInChI=1S/C12H12BrN3/c13-10-3-1-2-9(6-10)7-11(14)12-4-5-15-8-16-12/h1-6,8,11H,7,14H2
InChIKeyGTHAAJDZCLRADV-UHFFFAOYSA-N
XLogP2.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 105406178
2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine
CID 103137033
2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114219129
2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 63988949
2-(2-bromo-4-fluorophenyl)-1-pyrimidin-4-ylethanamine
CID 63989148
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
N-[(3-bromophenyl)methyl]pyrimidin-4-amine
CID 61401223
2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989977
2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 114255323
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine (CID 63987893) is 2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine is NC(Cc1cccc(Br)c1)c1ccncn1.
What is the InChIKey of 2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine?
The InChIKey is GTHAAJDZCLRADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-10-3-1-2-9(6-10)7-11(14)12-4-5-15-8-16-12/h1-6,8,11H,7,14H2.
What are the key properties of 2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine?
2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine has a molecular weight of 278.15 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63987893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).