N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine

C10H16IN3O — CID 66320495

IUPACN,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine
SMILESCCN(CC)CCOc1ncncc1I
InChIInChI=1S/C10H16IN3O/c1-3-14(4-2)5-6-15-10-9(11)7-12-8-13-10/h7-8H,3-6H2,1-2H3
InChIKeyVHSRXOHPNNZTPA-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.80
Rot. Bonds6

About N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine

N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine (PubChem CID 66320495) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine
PubChem CID66320495
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC NameN,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine
SMILESCCN(CC)CCOc1ncncc1I
InChIInChI=1S/C10H16IN3O/c1-3-14(4-2)5-6-15-10-9(11)7-12-8-13-10/h7-8H,3-6H2,1-2H3
InChIKeyVHSRXOHPNNZTPA-UHFFFAOYSA-N
XLogP1.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
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 N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine (CID 66320495) is N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine is CCN(CC)CCOc1ncncc1I.
What is the InChIKey of N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine?
The InChIKey is VHSRXOHPNNZTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-3-14(4-2)5-6-15-10-9(11)7-12-8-13-10/h7-8H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine?
N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine has a molecular weight of 321.16 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine is sourced from PubChem (CID 66320495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).