1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine

C8H12IN3O — CID 66320932

IUPAC1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1ncncc1I
InChIInChI=1S/C8H12IN3O/c1-13-4-6(10)2-8-7(9)3-11-5-12-8/h3,5-6H,2,4,10H2,1H3
InChIKeyVXYURXMGYLHUPI-UHFFFAOYSA-N
MW293.11 g/mol
LogP0.60
Rot. Bonds4

About 1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine

1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine (PubChem CID 66320932) has the molecular formula C8H12IN3O and a molecular weight of 293.11 g/mol. Its IUPAC name is 1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine
PubChem CID66320932
Molecular FormulaC8H12IN3O
Molecular Weight293.11 g/mol
Exact Mass293.00
IUPAC Name1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1ncncc1I
InChIInChI=1S/C8H12IN3O/c1-13-4-6(10)2-8-7(9)3-11-5-12-8/h3,5-6H,2,4,10H2,1H3
InChIKeyVXYURXMGYLHUPI-UHFFFAOYSA-N
XLogP0.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 50.60
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 1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine (CID 66320932) is 1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine is COCC(N)Cc1ncncc1I.
What is the InChIKey of 1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine?
The InChIKey is VXYURXMGYLHUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O/c1-13-4-6(10)2-8-7(9)3-11-5-12-8/h3,5-6H,2,4,10H2,1H3.
What are the key properties of 1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine?
1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine has a molecular weight of 293.11 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodopyrimidin-4-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 66320932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).