4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine

C7H9I2N3O — CID 87732677

IUPAC4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nc(I)cc(I)n1
InChIInChI=1S/C7H9I2N3O/c1-13-3-2-10-7-11-5(8)4-6(9)12-7/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyDZTLULOQDSSPJF-UHFFFAOYSA-N
MW404.98 g/mol
LogP1.74
Rot. Bonds4

About 4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine

4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine (PubChem CID 87732677) has the molecular formula C7H9I2N3O and a molecular weight of 404.98 g/mol. Its IUPAC name is 4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine
PubChem CID87732677
Molecular FormulaC7H9I2N3O
Molecular Weight404.98 g/mol
Exact Mass404.88
IUPAC Name4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nc(I)cc(I)n1
InChIInChI=1S/C7H9I2N3O/c1-13-3-2-10-7-11-5(8)4-6(9)12-7/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyDZTLULOQDSSPJF-UHFFFAOYSA-N
XLogP1.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.98
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
CID 114221034
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol
CID 140896989
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 163343919
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911567
4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107541939
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935080
2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine
CID 139606318
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491491

Frequently Asked Questions

What is the IUPAC name of 4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine (CID 87732677) is 4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine is COCCNc1nc(I)cc(I)n1.
What is the InChIKey of 4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine?
The InChIKey is DZTLULOQDSSPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9I2N3O/c1-13-3-2-10-7-11-5(8)4-6(9)12-7/h4H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine?
4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine has a molecular weight of 404.98 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 87732677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).