2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C4H4IN3O2 — CID 66286373

IUPAC2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C4H4IN3O2/c5-1-2(9)7-4(6)8-3(1)10/h(H4,6,7,8,9,10)
InChIKeyIPXPNFOHCAEFMA-UHFFFAOYSA-N
MW253.00 g/mol
LogP-0.34
Rot. Bonds

About 2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66286373) has the molecular formula C4H4IN3O2 and a molecular weight of 253.00 g/mol. Its IUPAC name is 2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66286373
Molecular FormulaC4H4IN3O2
Molecular Weight253.00 g/mol
Exact Mass252.93
IUPAC Name2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C4H4IN3O2/c5-1-2(9)7-4(6)8-3(1)10/h(H4,6,7,8,9,10)
InChIKeyIPXPNFOHCAEFMA-UHFFFAOYSA-N
XLogP-0.34
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.00
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
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 2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66286373) is 2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one is Nc1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is IPXPNFOHCAEFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN3O2/c5-1-2(9)7-4(6)8-3(1)10/h(H4,6,7,8,9,10).
What are the key properties of 2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 253.00 g/mol, XLogP of -0.34, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66286373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).