8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane

C10H12IN3O — CID 164653495

IUPAC8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESIc1cncnc1N1C2CCC1COC2
InChIInChI=1S/C10H12IN3O/c11-9-3-12-6-13-10(9)14-7-1-2-8(14)5-15-4-7/h3,6-8H,1-2,4-5H2
InChIKeyGBKVFHOTBZMQNB-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.45
Rot. Bonds1

About 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 164653495) has the molecular formula C10H12IN3O and a molecular weight of 317.13 g/mol. Its IUPAC name is 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID164653495
Molecular FormulaC10H12IN3O
Molecular Weight317.13 g/mol
Exact Mass317.00
IUPAC Name8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESIc1cncnc1N1C2CCC1COC2
InChIInChI=1S/C10H12IN3O/c11-9-3-12-6-13-10(9)14-7-1-2-8(14)5-15-4-7/h3,6-8H,1-2,4-5H2
InChIKeyGBKVFHOTBZMQNB-UHFFFAOYSA-N
XLogP1.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-pyrimidin-4-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 67608519
5-chloro-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-amine
CID 128729122
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 83104336
4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine
CID 66318164
3-bromo-8-(5-bromopyrimidin-4-yl)-8-azabicyclo[3.2.1]octane
CID 80667496
4-(5-iodopyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 102745301
1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553204
2-(5-iodopyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863184
8-(5-chloropyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 105370231
5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 67539377
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104922
[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine
CID 116640270

Frequently Asked Questions

What is the IUPAC name of 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 164653495) is 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane is Ic1cncnc1N1C2CCC1COC2.
What is the InChIKey of 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is GBKVFHOTBZMQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O/c11-9-3-12-6-13-10(9)14-7-1-2-8(14)5-15-4-7/h3,6-8H,1-2,4-5H2.
What are the key properties of 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 317.13 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-iodopyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 164653495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).