N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine

C12H11FIN3 — CID 104839907

IUPACN-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine
SMILESCC(Nc1ncc(I)cn1)c1ccccc1F
InChIInChI=1S/C12H11FIN3/c1-8(10-4-2-3-5-11(10)13)17-12-15-6-9(14)7-16-12/h2-8H,1H3,(H,15,16,17)
InChIKeyFRRFYDKIBXJZIG-UHFFFAOYSA-N
MW343.14 g/mol
LogP3.39
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine

N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine (PubChem CID 104839907) has the molecular formula C12H11FIN3 and a molecular weight of 343.14 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine
PubChem CID104839907
Molecular FormulaC12H11FIN3
Molecular Weight343.14 g/mol
Exact Mass343.00
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine
SMILESCC(Nc1ncc(I)cn1)c1ccccc1F
InChIInChI=1S/C12H11FIN3/c1-8(10-4-2-3-5-11(10)13)17-12-15-6-9(14)7-16-12/h2-8H,1H3,(H,15,16,17)
InChIKeyFRRFYDKIBXJZIG-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'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 116648364
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 55080459
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802046
N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine
CID 60631383
5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114050357
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
CID 60943140

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine (CID 104839907) is N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine is CC(Nc1ncc(I)cn1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine?
The InChIKey is FRRFYDKIBXJZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3/c1-8(10-4-2-3-5-11(10)13)17-12-15-6-9(14)7-16-12/h2-8H,1H3,(H,15,16,17).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine?
N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-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-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine is sourced from PubChem (CID 104839907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).