5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine

C17H22IN3 — CID 66306247

IUPAC5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC(C)C)nc(-c2ccccc2)c1I
InChIInChI=1S/C17H22IN3/c1-4-10-19-17-15(18)16(13-8-6-5-7-9-13)20-14(21-17)11-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,19,20,21)
InChIKeyWWOARASIOMJNLL-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.77
Rot. Bonds6

About 5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine

5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine (PubChem CID 66306247) has the molecular formula C17H22IN3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine
PubChem CID66306247
Molecular FormulaC17H22IN3
Molecular Weight395.29 g/mol
Exact Mass395.09
IUPAC Name5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC(C)C)nc(-c2ccccc2)c1I
InChIInChI=1S/C17H22IN3/c1-4-10-19-17-15(18)16(13-8-6-5-7-9-13)20-14(21-17)11-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,19,20,21)
InChIKeyWWOARASIOMJNLL-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.77
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 5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine (CID 66306247) is 5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine is CCCNc1nc(CC(C)C)nc(-c2ccccc2)c1I.
What is the InChIKey of 5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine?
The InChIKey is WWOARASIOMJNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22IN3/c1-4-10-19-17-15(18)16(13-8-6-5-7-9-13)20-14(21-17)11-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of 5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine?
5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine has a molecular weight of 395.29 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66306247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).