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

C8H10IN3O2 — CID 114586552

IUPAC4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one
SMILESNC1CC(Oc2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C8H10IN3O2/c9-6-7(13)11-3-12-8(6)14-5-1-4(10)2-5/h3-5H,1-2,10H2,(H,11,12,13)
InChIKeyXZUDNOJJMXIKMP-UHFFFAOYSA-N
MW307.09 g/mol
LogP0.24
Rot. Bonds2

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

4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 114586552) has the molecular formula C8H10IN3O2 and a molecular weight of 307.09 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one
PubChem CID114586552
Molecular FormulaC8H10IN3O2
Molecular Weight307.09 g/mol
Exact Mass306.98
IUPAC Name4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one
SMILESNC1CC(Oc2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C8H10IN3O2/c9-6-7(13)11-3-12-8(6)14-5-1-4(10)2-5/h3-5H,1-2,10H2,(H,11,12,13)
InChIKeyXZUDNOJJMXIKMP-UHFFFAOYSA-N
XLogP0.24
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one
CID 106825680
5-iodo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939644
4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136977567
4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008593
4-but-3-enoxy-5-iodo-1H-pyrimidin-6-one
CID 114676298
5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
5-amino-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103241706
3-(7H-purin-6-yloxy)cyclopentan-1-amine
CID 79465933
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
4-bromo-5-iodo-1H-pyrimidin-6-one
CID 136757882
4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one
CID 114676453
5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102634996

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one (CID 114586552) is 4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one is NC1CC(Oc2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is XZUDNOJJMXIKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O2/c9-6-7(13)11-3-12-8(6)14-5-1-4(10)2-5/h3-5H,1-2,10H2,(H,11,12,13).
What are the key properties of 4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one?
4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 307.09 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).