2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine

C12H12IN3O — CID 66302482

IUPAC2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
SMILESCCOc1cccc(-c2ncc(I)c(N)n2)c1
InChIInChI=1S/C12H12IN3O/c1-2-17-9-5-3-4-8(6-9)12-15-7-10(13)11(14)16-12/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyHNUYATXSHRJLCK-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.73
Rot. Bonds3

About 2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine

2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine (PubChem CID 66302482) has the molecular formula C12H12IN3O and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
PubChem CID66302482
Molecular FormulaC12H12IN3O
Molecular Weight341.15 g/mol
Exact Mass341.00
IUPAC Name2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
SMILESCCOc1cccc(-c2ncc(I)c(N)n2)c1
InChIInChI=1S/C12H12IN3O/c1-2-17-9-5-3-4-8(6-9)12-15-7-10(13)11(14)16-12/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyHNUYATXSHRJLCK-UHFFFAOYSA-N
XLogP2.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297425
5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105178
4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 83567312
2-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025887
5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296662
2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979
5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296695
1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 62771715
[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746307
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
N-ethyl-5-iodo-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66295324

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine (CID 66302482) is 2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine is CCOc1cccc(-c2ncc(I)c(N)n2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is HNUYATXSHRJLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O/c1-2-17-9-5-3-4-8(6-9)12-15-7-10(13)11(14)16-12/h3-7H,2H2,1H3,(H2,14,15,16).
What are the key properties of 2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine?
2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 341.15 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66302482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).