6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine

C13H12IN3 — CID 66302561

IUPAC6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc(C2CC2)c1I
InChIInChI=1S/C13H12IN3/c14-10-11(8-6-7-8)16-13(17-12(10)15)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,16,17)
InChIKeyMJBUARFLUZHGRI-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.21
Rot. Bonds2

About 6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine

6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine (PubChem CID 66302561) has the molecular formula C13H12IN3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
PubChem CID66302561
Molecular FormulaC13H12IN3
Molecular Weight337.16 g/mol
Exact Mass337.01
IUPAC Name6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc(C2CC2)c1I
InChIInChI=1S/C13H12IN3/c14-10-11(8-6-7-8)16-13(17-12(10)15)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,16,17)
InChIKeyMJBUARFLUZHGRI-UHFFFAOYSA-N
XLogP3.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.21
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-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine (CID 66302561) is 6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine is Nc1nc(-c2ccccc2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine?
The InChIKey is MJBUARFLUZHGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3/c14-10-11(8-6-7-8)16-13(17-12(10)15)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,16,17).
What are the key properties of 6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine has a molecular weight of 337.16 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 66302561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).