4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one

C10H7BrIN3O2 — CID 114578870

IUPAC4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESNc1cccc(Oc2nc[nH]c(=O)c2I)c1Br
InChIInChI=1S/C10H7BrIN3O2/c11-7-5(13)2-1-3-6(7)17-10-8(12)9(16)14-4-15-10/h1-4H,13H2,(H,14,15,16)
InChIKeyUVBHTZHAKCWVEV-UHFFFAOYSA-N
MW407.99 g/mol
LogP2.51
Rot. Bonds2

About 4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one

4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 114578870) has the molecular formula C10H7BrIN3O2 and a molecular weight of 407.99 g/mol. Its IUPAC name is 4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID114578870
Molecular FormulaC10H7BrIN3O2
Molecular Weight407.99 g/mol
Exact Mass406.88
IUPAC Name4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one
SMILESNc1cccc(Oc2nc[nH]c(=O)c2I)c1Br
InChIInChI=1S/C10H7BrIN3O2/c11-7-5(13)2-1-3-6(7)17-10-8(12)9(16)14-4-15-10/h1-4H,13H2,(H,14,15,16)
InChIKeyUVBHTZHAKCWVEV-UHFFFAOYSA-N
XLogP2.51
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574415
4-(4-amino-2,5-difluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114578763
4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574379
4-(3-amino-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114252553
5-iodo-4-(3-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114675961
5-iodo-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 107732466
5-amino-4-(2-amino-3-hydroxyphenoxy)-1H-pyrimidin-6-one
CID 114764582
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide
CID 114676141
5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 114676042
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585606
5-bromo-4-(2-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114676052
4-bromo-5-iodo-1H-pyrimidin-6-one
CID 136757882

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one (CID 114578870) is 4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one is Nc1cccc(Oc2nc[nH]c(=O)c2I)c1Br.
What is the InChIKey of 4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UVBHTZHAKCWVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrIN3O2/c11-7-5(13)2-1-3-6(7)17-10-8(12)9(16)14-4-15-10/h1-4H,13H2,(H,14,15,16).
What are the key properties of 4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one?
4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 407.99 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-bromophenoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114578870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).