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

C10H16IN3O2 — CID 136956276

IUPAC4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCCCOCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyOOOQBKYZQNAQBP-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.60
Rot. Bonds7

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

4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956276) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136956276
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCCCOCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyOOOQBKYZQNAQBP-UHFFFAOYSA-N
XLogP1.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one (CID 136956276) is 4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one is CCCCOCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is OOOQBKYZQNAQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-2-3-5-16-6-4-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one?
4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).