3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one

C9H14IN3O2 — CID 103482387

IUPAC3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(CCOCCN)c(=O)c1I
InChIInChI=1S/C9H14IN3O2/c1-7-8(10)9(14)13(6-12-7)3-5-15-4-2-11/h6H,2-5,11H2,1H3
InChIKeyBBZYOMZBQZFONF-UHFFFAOYSA-N
MW323.13 g/mol
LogP0.13
Rot. Bonds5

About 3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one

3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one (PubChem CID 103482387) has the molecular formula C9H14IN3O2 and a molecular weight of 323.13 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one
PubChem CID103482387
Molecular FormulaC9H14IN3O2
Molecular Weight323.13 g/mol
Exact Mass323.01
IUPAC Name3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one
SMILESCc1ncn(CCOCCN)c(=O)c1I
InChIInChI=1S/C9H14IN3O2/c1-7-8(10)9(14)13(6-12-7)3-5-15-4-2-11/h6H,2-5,11H2,1H3
InChIKeyBBZYOMZBQZFONF-UHFFFAOYSA-N
XLogP0.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one (CID 103482387) is 3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one is Cc1ncn(CCOCCN)c(=O)c1I.
What is the InChIKey of 3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one?
The InChIKey is BBZYOMZBQZFONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O2/c1-7-8(10)9(14)13(6-12-7)3-5-15-4-2-11/h6H,2-5,11H2,1H3.
What are the key properties of 3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one?
3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one has a molecular weight of 323.13 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one is sourced from PubChem (CID 103482387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).