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

C9H12IN3O2 — CID 114586596

IUPAC4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one
SMILESNC1CCCC1Oc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H12IN3O2/c10-7-8(14)12-4-13-9(7)15-6-3-1-2-5(6)11/h4-6H,1-3,11H2,(H,12,13,14)
InChIKeyXFCYYOKXIMSHMS-UHFFFAOYSA-N
MW321.12 g/mol
LogP0.63
Rot. Bonds2

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

4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 114586596) has the molecular formula C9H12IN3O2 and a molecular weight of 321.12 g/mol. Its IUPAC name is 4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one
PubChem CID114586596
Molecular FormulaC9H12IN3O2
Molecular Weight321.12 g/mol
Exact Mass321.00
IUPAC Name4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one
SMILESNC1CCCC1Oc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H12IN3O2/c10-7-8(14)12-4-13-9(7)15-6-3-1-2-5(6)11/h4-6H,1-3,11H2,(H,12,13,14)
InChIKeyXFCYYOKXIMSHMS-UHFFFAOYSA-N
XLogP0.63
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.12
LogP ≤ 50.63
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

5-iodo-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586295
4-(3-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586570
4-(2-aminocycloheptyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586587
4-(2-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586588
4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586589
4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586592
4-(2-aminocyclopentyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586593
5-amino-4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586594
4-(2-aminocyclohexyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586605
4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one
CID 114675902
5-iodo-4-[(2-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136956533

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one (CID 114586596) is 4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one is NC1CCCC1Oc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is XFCYYOKXIMSHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O2/c10-7-8(14)12-4-13-9(7)15-6-3-1-2-5(6)11/h4-6H,1-3,11H2,(H,12,13,14).
What are the key properties of 4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one?
4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 321.12 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).