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

C7H10IN3O — CID 136957447

IUPAC4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O/c1-3-11(2)6-5(8)7(12)10-4-9-6/h4H,3H2,1-2H3,(H,9,10,12)
InChIKeyYHOJZXVTGUJSDK-UHFFFAOYSA-N
MW279.08 g/mol
LogP0.83
Rot. Bonds2

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

4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957447) has the molecular formula C7H10IN3O and a molecular weight of 279.08 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136957447
Molecular FormulaC7H10IN3O
Molecular Weight279.08 g/mol
Exact Mass278.99
IUPAC Name4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O/c1-3-11(2)6-5(8)7(12)10-4-9-6/h4H,3H2,1-2H3,(H,9,10,12)
InChIKeyYHOJZXVTGUJSDK-UHFFFAOYSA-N
XLogP0.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[ethyl(methyl)amino]-5-iodo-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 4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136957447) is 4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is CCN(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is YHOJZXVTGUJSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O/c1-3-11(2)6-5(8)7(12)10-4-9-6/h4H,3H2,1-2H3,(H,9,10,12).
What are the key properties of 4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 279.08 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).