5-iodo-2-phenyl-N-propylpyrimidin-4-amine

C13H14IN3 — CID 66303336

IUPAC5-iodo-2-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2)ncc1I
InChIInChI=1S/C13H14IN3/c1-2-8-15-13-11(14)9-16-12(17-13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17)
InChIKeyYBBCOIQHEMWOAQ-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.57
Rot. Bonds4

About 5-iodo-2-phenyl-N-propylpyrimidin-4-amine

5-iodo-2-phenyl-N-propylpyrimidin-4-amine (PubChem CID 66303336) has the molecular formula C13H14IN3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 5-iodo-2-phenyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-phenyl-N-propylpyrimidin-4-amine
PubChem CID66303336
Molecular FormulaC13H14IN3
Molecular Weight339.18 g/mol
Exact Mass339.02
IUPAC Name5-iodo-2-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2)ncc1I
InChIInChI=1S/C13H14IN3/c1-2-8-15-13-11(14)9-16-12(17-13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17)
InChIKeyYBBCOIQHEMWOAQ-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.57
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-phenyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-phenyl-N-propylpyrimidin-4-amine (CID 66303336) is 5-iodo-2-phenyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-phenyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-phenyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccccc2)ncc1I.
What is the InChIKey of 5-iodo-2-phenyl-N-propylpyrimidin-4-amine?
The InChIKey is YBBCOIQHEMWOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3/c1-2-8-15-13-11(14)9-16-12(17-13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17).
What are the key properties of 5-iodo-2-phenyl-N-propylpyrimidin-4-amine?
5-iodo-2-phenyl-N-propylpyrimidin-4-amine has a molecular weight of 339.18 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-phenyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66303336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).