N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine

C13H13FIN3 — CID 66302302

IUPACN-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(F)c2)ncc1I
InChIInChI=1S/C13H13FIN3/c1-2-16-13-11(15)8-17-12(18-13)7-9-4-3-5-10(14)6-9/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyPREUJQOTOKPIOB-UHFFFAOYSA-N
MW357.17 g/mol
LogP3.24
Rot. Bonds4

About N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine

N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine (PubChem CID 66302302) has the molecular formula C13H13FIN3 and a molecular weight of 357.17 g/mol. Its IUPAC name is N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine
PubChem CID66302302
Molecular FormulaC13H13FIN3
Molecular Weight357.17 g/mol
Exact Mass357.01
IUPAC NameN-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(F)c2)ncc1I
InChIInChI=1S/C13H13FIN3/c1-2-16-13-11(15)8-17-12(18-13)7-9-4-3-5-10(14)6-9/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyPREUJQOTOKPIOB-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine (CID 66302302) is N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine is CCNc1nc(Cc2cccc(F)c2)ncc1I.
What is the InChIKey of N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine?
The InChIKey is PREUJQOTOKPIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN3/c1-2-16-13-11(15)8-17-12(18-13)7-9-4-3-5-10(14)6-9/h3-6,8H,2,7H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine?
N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine has a molecular weight of 357.17 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66302302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).