6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine

C12H12IN3O — CID 66302167

IUPAC6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccoc2)nc(C2CC2)c1I
InChIInChI=1S/C12H12IN3O/c1-14-12-9(13)10(7-2-3-7)15-11(16-12)8-4-5-17-6-8/h4-7H,2-3H2,1H3,(H,14,15,16)
InChIKeyRVSAYSWKRZALAF-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.26
Rot. Bonds3

About 6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine

6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66302167) has the molecular formula C12H12IN3O and a molecular weight of 341.15 g/mol. Its IUPAC name is 6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66302167
Molecular FormulaC12H12IN3O
Molecular Weight341.15 g/mol
Exact Mass341.00
IUPAC Name6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ccoc2)nc(C2CC2)c1I
InChIInChI=1S/C12H12IN3O/c1-14-12-9(13)10(7-2-3-7)15-11(16-12)8-4-5-17-6-8/h4-7H,2-3H2,1H3,(H,14,15,16)
InChIKeyRVSAYSWKRZALAF-UHFFFAOYSA-N
XLogP3.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine (CID 66302167) is 6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(-c2ccoc2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is RVSAYSWKRZALAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O/c1-14-12-9(13)10(7-2-3-7)15-11(16-12)8-4-5-17-6-8/h4-7H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine?
6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 341.15 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66302167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).