N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine

C9H14IN3O — CID 81061842

IUPACN-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCOCCN(C)c1ncncc1I
InChIInChI=1S/C9H14IN3O/c1-3-14-5-4-13(2)9-8(10)6-11-7-12-9/h6-7H,3-5H2,1-2H3
InChIKeyYTALPXYEGYEWCL-UHFFFAOYSA-N
MW307.13 g/mol
LogP1.55
Rot. Bonds5

About N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine

N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 81061842) has the molecular formula C9H14IN3O and a molecular weight of 307.13 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID81061842
Molecular FormulaC9H14IN3O
Molecular Weight307.13 g/mol
Exact Mass307.02
IUPAC NameN-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCOCCN(C)c1ncncc1I
InChIInChI=1S/C9H14IN3O/c1-3-14-5-4-13(2)9-8(10)6-11-7-12-9/h6-7H,3-5H2,1-2H3
InChIKeyYTALPXYEGYEWCL-UHFFFAOYSA-N
XLogP1.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 51.55
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine (CID 81061842) is N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine is CCOCCN(C)c1ncncc1I.
What is the InChIKey of N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is YTALPXYEGYEWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O/c1-3-14-5-4-13(2)9-8(10)6-11-7-12-9/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine?
N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 307.13 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 81061842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).