6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine

C14H15FIN3 — CID 12056722

IUPAC6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCC(F)c1ncnc(NCCc2ccccc2)c1I
InChIInChI=1S/C14H15FIN3/c1-10(15)13-12(16)14(19-9-18-13)17-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,18,19)
InChIKeyBUNYVQYGAQAMLS-UHFFFAOYSA-N
MW371.20 g/mol
LogP3.77
Rot. Bonds5

About 6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine

6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 12056722) has the molecular formula C14H15FIN3 and a molecular weight of 371.20 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID12056722
Molecular FormulaC14H15FIN3
Molecular Weight371.20 g/mol
Exact Mass371.03
IUPAC Name6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCC(F)c1ncnc(NCCc2ccccc2)c1I
InChIInChI=1S/C14H15FIN3/c1-10(15)13-12(16)14(19-9-18-13)17-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,18,19)
InChIKeyBUNYVQYGAQAMLS-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.77
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 6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine (CID 12056722) is 6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine is CC(F)c1ncnc(NCCc2ccccc2)c1I.
What is the InChIKey of 6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is BUNYVQYGAQAMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FIN3/c1-10(15)13-12(16)14(19-9-18-13)17-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,17,18,19).
What are the key properties of 6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine?
6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 371.20 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-5-iodo-N-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 12056722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).