2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine

C13H14IN3 — CID 115530048

IUPAC2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1nccc(C(N)Cc2ccc(I)cc2)n1
InChIInChI=1S/C13H14IN3/c1-9-16-7-6-13(17-9)12(15)8-10-2-4-11(14)5-3-10/h2-7,12H,8,15H2,1H3
InChIKeyZZUMPVASXCSINM-UHFFFAOYSA-N
MW339.18 g/mol
LogP2.63
Rot. Bonds3

About 2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine

2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 115530048) has the molecular formula C13H14IN3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID115530048
Molecular FormulaC13H14IN3
Molecular Weight339.18 g/mol
Exact Mass339.02
IUPAC Name2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1nccc(C(N)Cc2ccc(I)cc2)n1
InChIInChI=1S/C13H14IN3/c1-9-16-7-6-13(17-9)12(15)8-10-2-4-11(14)5-3-10/h2-7,12H,8,15H2,1H3
InChIKeyZZUMPVASXCSINM-UHFFFAOYSA-N
XLogP2.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469
N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530719
2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530243
1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
CID 115530277
2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine
CID 65476898
2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329452
(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530366
3-amino-3-(2-methylpyrimidin-4-yl)propanamide
CID 115527138
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329517
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 115530048) is 2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine is Cc1nccc(C(N)Cc2ccc(I)cc2)n1.
What is the InChIKey of 2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is ZZUMPVASXCSINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3/c1-9-16-7-6-13(17-9)12(15)8-10-2-4-11(14)5-3-10/h2-7,12H,8,15H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 339.18 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 115530048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).