N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine

C12H11FIN3 — CID 66342562

IUPACN-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
SMILESCC(Nc1ncncc1I)c1cccc(F)c1
InChIInChI=1S/C12H11FIN3/c1-8(9-3-2-4-10(13)5-9)17-12-11(14)6-15-7-16-12/h2-8H,1H3,(H,15,16,17)
InChIKeyAKHDYURKNGXGMR-UHFFFAOYSA-N
MW343.14 g/mol
LogP3.39
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine

N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine (PubChem CID 66342562) has the molecular formula C12H11FIN3 and a molecular weight of 343.14 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
PubChem CID66342562
Molecular FormulaC12H11FIN3
Molecular Weight343.14 g/mol
Exact Mass343.00
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
SMILESCC(Nc1ncncc1I)c1cccc(F)c1
InChIInChI=1S/C12H11FIN3/c1-8(9-3-2-4-10(13)5-9)17-12-11(14)6-15-7-16-12/h2-8H,1H3,(H,15,16,17)
InChIKeyAKHDYURKNGXGMR-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342777
N-[1-(2-aminophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66318831
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801900
4-N-[1-(3-fluorophenyl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783043
N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline
CID 114256809
6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
CID 63730152
4-N-[1-(3-bromophenyl)ethyl]pyrimidine-4,5-diamine
CID 79917140
5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine
CID 141176928
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]pyrimidine-5-carboxylic acid
CID 103258737
(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81365246
(1R)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81367215
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
CID 107632466

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine (CID 66342562) is N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine is CC(Nc1ncncc1I)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine?
The InChIKey is AKHDYURKNGXGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3/c1-8(9-3-2-4-10(13)5-9)17-12-11(14)6-15-7-16-12/h2-8H,1H3,(H,15,16,17).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine?
N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine has a molecular weight of 343.14 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66342562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).