2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine

C16H19FIN3 — CID 66306993

IUPAC2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(F)c2)nc(CCC)c1I
InChIInChI=1S/C16H19FIN3/c1-3-6-13-14(18)16(19-9-4-2)21-15(20-13)11-7-5-8-12(17)10-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20,21)
InChIKeyQEIOPHBKFACWIR-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.66
Rot. Bonds6

About 2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine

2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine (PubChem CID 66306993) has the molecular formula C16H19FIN3 and a molecular weight of 399.25 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
PubChem CID66306993
Molecular FormulaC16H19FIN3
Molecular Weight399.25 g/mol
Exact Mass399.06
IUPAC Name2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(F)c2)nc(CCC)c1I
InChIInChI=1S/C16H19FIN3/c1-3-6-13-14(18)16(19-9-4-2)21-15(20-13)11-7-5-8-12(17)10-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20,21)
InChIKeyQEIOPHBKFACWIR-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.66
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 2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine (CID 66306993) is 2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(-c2cccc(F)c2)nc(CCC)c1I.
What is the InChIKey of 2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine?
The InChIKey is QEIOPHBKFACWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FIN3/c1-3-6-13-14(18)16(19-9-4-2)21-15(20-13)11-7-5-8-12(17)10-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine?
2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine has a molecular weight of 399.25 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 66306993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).