2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine

C12H17IN2O — CID 116649220

IUPAC2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine
SMILESCC1CC(C)CC(Oc2ncc(I)cn2)C1
InChIInChI=1S/C12H17IN2O/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3
InChIKeyAGJHSFXQWINLHB-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.28
Rot. Bonds2

About 2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine

2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine (PubChem CID 116649220) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine
PubChem CID116649220
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine
SMILESCC1CC(C)CC(Oc2ncc(I)cn2)C1
InChIInChI=1S/C12H17IN2O/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3
InChIKeyAGJHSFXQWINLHB-UHFFFAOYSA-N
XLogP3.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine
CID 116649217
1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
CID 64736506
N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine
CID 116648422
[5-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 79788126
5-methyl-2-(3-methylcyclobutyl)oxypyridine
CID 135173700
tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 67529349
4-(3,5-dimethylcyclohexyl)oxy-5-methylpyrimidin-2-amine
CID 80878483
6-(3,5-dimethylcyclohexyl)oxy-5-methylpyridin-3-amine
CID 64730372
5-(3,5-dimethylcyclohexyl)oxypyridin-3-amine
CID 104536865
(5-iodopyrimidin-2-yl) hypoiodite
CID 170122228
5-butoxy-2-(3-butoxycyclobutyl)oxypyrimidine
CID 90066536
5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine
CID 79535668

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine (CID 116649220) is 2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine is CC1CC(C)CC(Oc2ncc(I)cn2)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine?
The InChIKey is AGJHSFXQWINLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine?
2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine has a molecular weight of 332.19 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)oxy-5-iodopyrimidine is sourced from PubChem (CID 116649220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).