4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one

C7H10IN3O2 — CID 114586372

IUPAC4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one
SMILESNCCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c8-5-6(12)10-4-11-7(5)13-3-1-2-9/h4H,1-3,9H2,(H,10,11,12)
InChIKeyWWDSLWYKXSKBRR-UHFFFAOYSA-N
MW295.08 g/mol
LogP0.10
Rot. Bonds4

About 4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one

4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114586372) has the molecular formula C7H10IN3O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114586372
Molecular FormulaC7H10IN3O2
Molecular Weight295.08 g/mol
Exact Mass294.98
IUPAC Name4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one
SMILESNCCCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c8-5-6(12)10-4-11-7(5)13-3-1-2-9/h4H,1-3,9H2,(H,10,11,12)
InChIKeyWWDSLWYKXSKBRR-UHFFFAOYSA-N
XLogP0.10
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 113792787
5-iodo-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 114675907
5-iodo-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 114676157
4-(2,2-difluoroethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114676545
5-iodo-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 114676551
5-iodo-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 114676563
5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
4-but-3-ynoxy-5-iodo-1H-pyrimidin-6-one
CID 106795115
5-iodo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586305
5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586315
4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114586334
5-iodo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586343

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one (CID 114586372) is 4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one is NCCCOc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WWDSLWYKXSKBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O2/c8-5-6(12)10-4-11-7(5)13-3-1-2-9/h4H,1-3,9H2,(H,10,11,12).
What are the key properties of 4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one?
4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 295.08 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).