5-iodo-2-octan-2-yloxypyrimidine

C12H19IN2O — CID 116649161

IUPAC5-iodo-2-octan-2-yloxypyrimidine
SMILESCCCCCCC(C)Oc1ncc(I)cn1
InChIInChI=1S/C12H19IN2O/c1-3-4-5-6-7-10(2)16-12-14-8-11(13)9-15-12/h8-10H,3-7H2,1-2H3
InChIKeyZTIZIZLJYUJROJ-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.82
Rot. Bonds7

About 5-iodo-2-octan-2-yloxypyrimidine

5-iodo-2-octan-2-yloxypyrimidine (PubChem CID 116649161) has the molecular formula C12H19IN2O and a molecular weight of 334.20 g/mol. Its IUPAC name is 5-iodo-2-octan-2-yloxypyrimidine.

Molecular Properties

Compound Name5-iodo-2-octan-2-yloxypyrimidine
PubChem CID116649161
Molecular FormulaC12H19IN2O
Molecular Weight334.20 g/mol
Exact Mass334.05
IUPAC Name5-iodo-2-octan-2-yloxypyrimidine
SMILESCCCCCCC(C)Oc1ncc(I)cn1
InChIInChI=1S/C12H19IN2O/c1-3-4-5-6-7-10(2)16-12-14-8-11(13)9-15-12/h8-10H,3-7H2,1-2H3
InChIKeyZTIZIZLJYUJROJ-UHFFFAOYSA-N
XLogP3.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodo-2-octan-2-yloxypyrimidine 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

(5-octan-2-yloxypyrazin-2-yl)methanol
CID 107373154
2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
CID 18632504
6-bromo-2-octan-2-yloxypyrimidin-4-amine
CID 116797551
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
decan-2-yloxybenzene
CID 12838331
6-octan-2-yloxypyridine-3-carbonitrile
CID 43128061
2-(4-dodecoxyphenyl)-5-[(2S)-octan-2-yl]oxypyrazine
CID 14365796
tributyl-(5-iodopyrimidin-2-yl)oxystannane
CID 16701676
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
(4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906947
(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
CID 61255716
3-iodo-4-octan-2-yloxyaniline
CID 66093590

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-octan-2-yloxypyrimidine?
The IUPAC name of 5-iodo-2-octan-2-yloxypyrimidine (CID 116649161) is 5-iodo-2-octan-2-yloxypyrimidine.
What is the SMILES notation for 5-iodo-2-octan-2-yloxypyrimidine?
The canonical SMILES for 5-iodo-2-octan-2-yloxypyrimidine is CCCCCCC(C)Oc1ncc(I)cn1.
What is the InChIKey of 5-iodo-2-octan-2-yloxypyrimidine?
The InChIKey is ZTIZIZLJYUJROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2O/c1-3-4-5-6-7-10(2)16-12-14-8-11(13)9-15-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-iodo-2-octan-2-yloxypyrimidine?
5-iodo-2-octan-2-yloxypyrimidine has a molecular weight of 334.20 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-octan-2-yloxypyrimidine is sourced from PubChem (CID 116649161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).