4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one

C7H10IN3O2 — CID 136957554

IUPAC4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CCO)c1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c1-11(2-3-12)6-5(8)7(13)10-4-9-6/h4,12H,2-3H2,1H3,(H,9,10,13)
InChIKeyRHJIBDJZWNAUGE-UHFFFAOYSA-N
MW295.08 g/mol
LogP-0.20
Rot. Bonds3

About 4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957554) has the molecular formula C7H10IN3O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136957554
Molecular FormulaC7H10IN3O2
Molecular Weight295.08 g/mol
Exact Mass294.98
IUPAC Name4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CCO)c1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c1-11(2-3-12)6-5(8)7(13)10-4-9-6/h4,12H,2-3H2,1H3,(H,9,10,13)
InChIKeyRHJIBDJZWNAUGE-UHFFFAOYSA-N
XLogP-0.20
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
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 4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136957554) is 4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is CN(CCO)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is RHJIBDJZWNAUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O2/c1-11(2-3-12)6-5(8)7(13)10-4-9-6/h4,12H,2-3H2,1H3,(H,9,10,13).
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 295.08 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).