2-(3-cyclohexylpropoxy)-4-methylpyrimidine

C14H22N2O — CID 23595057

IUPAC2-(3-cyclohexylpropoxy)-4-methylpyrimidine
SMILESCc1ccnc(OCCCC2CCCCC2)n1
InChIInChI=1S/C14H22N2O/c1-12-9-10-15-14(16-12)17-11-5-8-13-6-3-2-4-7-13/h9-10,13H,2-8,11H2,1H3
InChIKeyPEDHVPKFJUSSRG-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.52
Rot. Bonds5

About 2-(3-cyclohexylpropoxy)-4-methylpyrimidine

2-(3-cyclohexylpropoxy)-4-methylpyrimidine (PubChem CID 23595057) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-cyclohexylpropoxy)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(3-cyclohexylpropoxy)-4-methylpyrimidine
PubChem CID23595057
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3-cyclohexylpropoxy)-4-methylpyrimidine
SMILESCc1ccnc(OCCCC2CCCCC2)n1
InChIInChI=1S/C14H22N2O/c1-12-9-10-15-14(16-12)17-11-5-8-13-6-3-2-4-7-13/h9-10,13H,2-8,11H2,1H3
InChIKeyPEDHVPKFJUSSRG-UHFFFAOYSA-N
XLogP3.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpropoxy)-4-methylpyrimidine?
The IUPAC name of 2-(3-cyclohexylpropoxy)-4-methylpyrimidine (CID 23595057) is 2-(3-cyclohexylpropoxy)-4-methylpyrimidine.
What is the SMILES notation for 2-(3-cyclohexylpropoxy)-4-methylpyrimidine?
The canonical SMILES for 2-(3-cyclohexylpropoxy)-4-methylpyrimidine is Cc1ccnc(OCCCC2CCCCC2)n1.
What is the InChIKey of 2-(3-cyclohexylpropoxy)-4-methylpyrimidine?
The InChIKey is PEDHVPKFJUSSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-9-10-15-14(16-12)17-11-5-8-13-6-3-2-4-7-13/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 2-(3-cyclohexylpropoxy)-4-methylpyrimidine?
2-(3-cyclohexylpropoxy)-4-methylpyrimidine has a molecular weight of 234.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpropoxy)-4-methylpyrimidine is sourced from PubChem (CID 23595057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).