2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one

C7H10IN3O2 — CID 135863367

IUPAC2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCO)[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c1-4-5(8)6(13)11-7(10-4)9-2-3-12/h12H,2-3H2,1H3,(H2,9,10,11,13)
InChIKeyCYLFEIKYYTWGMP-UHFFFAOYSA-N
MW295.08 g/mol
LogP0.09
Rot. Bonds3

About 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one

2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one (PubChem CID 135863367) has the molecular formula C7H10IN3O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one
PubChem CID135863367
Molecular FormulaC7H10IN3O2
Molecular Weight295.08 g/mol
Exact Mass294.98
IUPAC Name2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCO)[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c1-4-5(8)6(13)11-7(10-4)9-2-3-12/h12H,2-3H2,1H3,(H2,9,10,11,13)
InChIKeyCYLFEIKYYTWGMP-UHFFFAOYSA-N
XLogP0.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one (CID 135863367) is 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one is Cc1nc(NCCO)[nH]c(=O)c1I.
What is the InChIKey of 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CYLFEIKYYTWGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O2/c1-4-5(8)6(13)11-7(10-4)9-2-3-12/h12H,2-3H2,1H3,(H2,9,10,11,13).
What are the key properties of 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one?
2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one has a molecular weight of 295.08 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-5-iodo-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135863367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).