4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine

C12H17IN2O — CID 114341846

IUPAC4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine
SMILESCC1(C)CCC(Oc2ncncc2I)CC1
InChIInChI=1S/C12H17IN2O/c1-12(2)5-3-9(4-6-12)16-11-10(13)7-14-8-15-11/h7-9H,3-6H2,1-2H3
InChIKeyZBJCSFBHQRFNHY-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.43
Rot. Bonds2

About 4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine

4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine (PubChem CID 114341846) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine
PubChem CID114341846
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine
SMILESCC1(C)CCC(Oc2ncncc2I)CC1
InChIInChI=1S/C12H17IN2O/c1-12(2)5-3-9(4-6-12)16-11-10(13)7-14-8-15-11/h7-9H,3-6H2,1-2H3
InChIKeyZBJCSFBHQRFNHY-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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

[6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine
CID 114343031
(4-cyclopropyloxypyrimidin-5-yl)boronic acid
CID 171760230
5-bromo-4-cyclopentyloxypyrimidine
CID 66317989
4-(4,4-dimethylcyclohexyl)oxy-N,5-dimethylpyrimidin-2-amine
CID 114342911
5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine
CID 114796262
5-iodo-4-(pyrrolidin-3-ylmethoxy)pyrimidine
CID 66317968
1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 114342262
3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine
CID 103079230
5-bromo-2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine
CID 114870816
4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine
CID 174643760
[4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol
CID 114215282
6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 114342901

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine (CID 114341846) is 4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine is CC1(C)CCC(Oc2ncncc2I)CC1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine?
The InChIKey is ZBJCSFBHQRFNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-12(2)5-3-9(4-6-12)16-11-10(13)7-14-8-15-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine?
4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine has a molecular weight of 332.19 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)oxy-5-iodopyrimidine is sourced from PubChem (CID 114341846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).