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

C8H12IN3O2 — CID 66285761

IUPAC2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C8H12IN3O2/c1-3-12(4-2)8-10-6(13)5(9)7(14)11-8/h3-4H2,1-2H3,(H2,10,11,13,14)
InChIKeyKVVPBXQCCHDCJE-UHFFFAOYSA-N
MW309.11 g/mol
LogP0.93
Rot. Bonds3

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

2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66285761) has the molecular formula C8H12IN3O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66285761
Molecular FormulaC8H12IN3O2
Molecular Weight309.11 g/mol
Exact Mass309.00
IUPAC Name2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC)c1nc(O)c(I)c(=O)[nH]1
InChIInChI=1S/C8H12IN3O2/c1-3-12(4-2)8-10-6(13)5(9)7(14)11-8/h3-4H2,1-2H3,(H2,10,11,13,14)
InChIKeyKVVPBXQCCHDCJE-UHFFFAOYSA-N
XLogP0.93
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 50.93
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-chloro-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 20314158
2-Diethylamino-4,6-dihydroxy-pyrimidine
CID 21415038
2-(diethylamino)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612947
4-hydroxy-5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 66284771
4-hydroxy-5-iodo-2-(methylamino)-1H-pyrimidin-6-one
CID 66285973
2-(azepan-1-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286179
4-hydroxy-5-iodo-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 66286180
2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286571
5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 66286963
4-hydroxy-5-iodo-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 66286993
2-(diethylamino)-5-iodo-1H-pyrimidin-6-one
CID 66316787
2-(diethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136257179

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66285761) is 2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCN(CC)c1nc(O)c(I)c(=O)[nH]1.
What is the InChIKey of 2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is KVVPBXQCCHDCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O2/c1-3-12(4-2)8-10-6(13)5(9)7(14)11-8/h3-4H2,1-2H3,(H2,10,11,13,14).
What are the key properties of 2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 309.11 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66285761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).