2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine

C9H14IN3O — CID 66306102

IUPAC2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCCOC(C)c1nc(C)c(I)c(N)n1
InChIInChI=1S/C9H14IN3O/c1-4-14-6(3)9-12-5(2)7(10)8(11)13-9/h6H,4H2,1-3H3,(H2,11,12,13)
InChIKeyBYNAIHFOXNGSTK-UHFFFAOYSA-N
MW307.14 g/mol
LogP2.07
Rot. Bonds3

About 2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine

2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine (PubChem CID 66306102) has the molecular formula C9H14IN3O and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine
PubChem CID66306102
Molecular FormulaC9H14IN3O
Molecular Weight307.14 g/mol
Exact Mass307.02
IUPAC Name2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCCOC(C)c1nc(C)c(I)c(N)n1
InChIInChI=1S/C9H14IN3O/c1-4-14-6(3)9-12-5(2)7(10)8(11)13-9/h6H,4H2,1-3H3,(H2,11,12,13)
InChIKeyBYNAIHFOXNGSTK-UHFFFAOYSA-N
XLogP2.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 52.07
H-Bond Donors ≤ 51
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 2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine (CID 66306102) is 2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine is CCOC(C)c1nc(C)c(I)c(N)n1.
What is the InChIKey of 2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is BYNAIHFOXNGSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O/c1-4-14-6(3)9-12-5(2)7(10)8(11)13-9/h6H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of 2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine?
2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 307.14 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66306102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).