4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one

C10H16IN3O2 — CID 114586484

IUPAC4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one
SMILESCCC(N)(CC)COc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-3-10(12,4-2)5-16-9-7(11)8(15)13-6-14-9/h6H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyXVVYXDZEGRLKIB-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.27
Rot. Bonds5

About 4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one

4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114586484) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114586484
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one
SMILESCCC(N)(CC)COc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-3-10(12,4-2)5-16-9-7(11)8(15)13-6-14-9/h6H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyXVVYXDZEGRLKIB-UHFFFAOYSA-N
XLogP1.27
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.27
H-Bond Donors ≤ 52
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 4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one (CID 114586484) is 4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one is CCC(N)(CC)COc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is XVVYXDZEGRLKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-3-10(12,4-2)5-16-9-7(11)8(15)13-6-14-9/h6H,3-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one?
4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-ethylbutoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).