5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one

C7H10IN3O2 — CID 136955886

IUPAC5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
SMILESCOCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c1-13-3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyFAKFPPZCMPVMII-UHFFFAOYSA-N
MW295.08 g/mol
LogP0.43
Rot. Bonds4

About 5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one

5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136955886) has the molecular formula C7H10IN3O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136955886
Molecular FormulaC7H10IN3O2
Molecular Weight295.08 g/mol
Exact Mass294.98
IUPAC Name5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
SMILESCOCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c1-13-3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyFAKFPPZCMPVMII-UHFFFAOYSA-N
XLogP0.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 50.43
H-Bond Donors ≤ 52
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-[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
5-iodo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586315
4-[2-(ethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114586334
5-iodo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586343
4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114586362
5-iodo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586388
4-[2-(dimethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 114676262
5-amino-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 135575674
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-iodo-4-[2-methoxyethyl(prop-2-enyl)amino]-1H-pyrimidin-6-one
CID 136678162

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one (CID 136955886) is 5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one is COCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is FAKFPPZCMPVMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O2/c1-13-3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one?
5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 295.08 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(2-methoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).