2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine

C12H11FIN3 — CID 66304332

IUPAC2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(F)c2)ncc1I
InChIInChI=1S/C12H11FIN3/c1-15-12-10(14)7-16-11(17-12)6-8-3-2-4-9(13)5-8/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyVTIWEPFSYXVXMG-UHFFFAOYSA-N
MW343.14 g/mol
LogP2.85
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine

2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66304332) has the molecular formula C12H11FIN3 and a molecular weight of 343.14 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66304332
Molecular FormulaC12H11FIN3
Molecular Weight343.14 g/mol
Exact Mass343.00
IUPAC Name2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2cccc(F)c2)ncc1I
InChIInChI=1S/C12H11FIN3/c1-15-12-10(14)7-16-11(17-12)6-8-3-2-4-9(13)5-8/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyVTIWEPFSYXVXMG-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine
CID 66302302
2-benzyl-5-iodo-N-methylpyrimidin-4-amine
CID 66304334
5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 66306858
2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190601
3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269198
4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine
CID 61219333
2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66303519
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62757699
5-bromo-N,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 66298662
2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300915
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
[2-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 62251604

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine (CID 66304332) is 2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(Cc2cccc(F)c2)ncc1I.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is VTIWEPFSYXVXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FIN3/c1-15-12-10(14)7-16-11(17-12)6-8-3-2-4-9(13)5-8/h2-5,7H,6H2,1H3,(H,15,16,17).
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine?
2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 343.14 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66304332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).