5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one

C9H14IN3O3 — CID 136956343

IUPAC5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H14IN3O3/c1-15-4-5-16-3-2-11-8-7(10)9(14)13-6-12-8/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyHIICCAYZTYVGRD-UHFFFAOYSA-N
MW339.13 g/mol
LogP0.45
Rot. Bonds7

About 5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one

5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136956343) has the molecular formula C9H14IN3O3 and a molecular weight of 339.13 g/mol. Its IUPAC name is 5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one
PubChem CID136956343
Molecular FormulaC9H14IN3O3
Molecular Weight339.13 g/mol
Exact Mass339.01
IUPAC Name5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one
SMILESCOCCOCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H14IN3O3/c1-15-4-5-16-3-2-11-8-7(10)9(14)13-6-12-8/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyHIICCAYZTYVGRD-UHFFFAOYSA-N
XLogP0.45
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2,2-difluoroethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136896833
5-iodo-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956678
5-iodo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586305
4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114586334
5-iodo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136678162
4-(2-but-3-enoxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136690725
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136713903
4-(2,2-dimethoxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136713913
4-[3-(2-hydroxyethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730528
4-[3-(2-aminoethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730540
4-[2-(cyclopropylmethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136764987
2-[2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805711

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one (CID 136956343) is 5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one is COCCOCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is HIICCAYZTYVGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O3/c1-15-4-5-16-3-2-11-8-7(10)9(14)13-6-12-8/h6H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one?
5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 339.13 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[2-(2-methoxyethoxy)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).