N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine

C11H9FIN3 — CID 66319285

IUPACN-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCN(c1cccc(F)c1)c1ncncc1I
InChIInChI=1S/C11H9FIN3/c1-16(9-4-2-3-8(12)5-9)11-10(13)6-14-7-15-11/h2-7H,1H3
InChIKeyUIUCZVPNPCLMCT-UHFFFAOYSA-N
MW329.12 g/mol
LogP2.99
Rot. Bonds2

About N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine

N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66319285) has the molecular formula C11H9FIN3 and a molecular weight of 329.12 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66319285
Molecular FormulaC11H9FIN3
Molecular Weight329.12 g/mol
Exact Mass328.98
IUPAC NameN-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCN(c1cccc(F)c1)c1ncncc1I
InChIInChI=1S/C11H9FIN3/c1-16(9-4-2-3-8(12)5-9)11-10(13)6-14-7-15-11/h2-7H,1H3
InChIKeyUIUCZVPNPCLMCT-UHFFFAOYSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.12
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216152
5-iodo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 66319064
6-fluoro-N-(3-iodophenyl)-N-methylquinazolin-4-amine
CID 175809045
4-N-(3-fluorophenyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80817921
5-(bromomethyl)-N-(3-fluorophenyl)-N-methylpyrimidin-2-amine
CID 107082652
[6-(3-fluoro-N-methylanilino)-5-methyl-3-pyridinyl]methanol
CID 80628282
4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80818099
4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine
CID 79918567
4-N-(3-fluorophenyl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 80817532
[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol
CID 105383032
N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342562
1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol
CID 83131802

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine (CID 66319285) is N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine is CN(c1cccc(F)c1)c1ncncc1I.
What is the InChIKey of N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is UIUCZVPNPCLMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN3/c1-16(9-4-2-3-8(12)5-9)11-10(13)6-14-7-15-11/h2-7H,1H3.
What are the key properties of N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine?
N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 329.12 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66319285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).