2-octoxypyrimidine

C12H20N2O — CID 19389365

IUPAC2-octoxypyrimidine
SMILESCCCCCCCCOc1ncccn1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-6-7-11-15-12-13-9-8-10-14-12/h8-10H,2-7,11H2,1H3
InChIKeyRJMVYATWTZLTEF-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.22
Rot. Bonds8

About 2-octoxypyrimidine

2-octoxypyrimidine (PubChem CID 19389365) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-octoxypyrimidine.

Molecular Properties

Compound Name2-octoxypyrimidine
PubChem CID19389365
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-octoxypyrimidine
SMILESCCCCCCCCOc1ncccn1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-6-7-11-15-12-13-9-8-10-14-12/h8-10H,2-7,11H2,1H3
InChIKeyRJMVYATWTZLTEF-UHFFFAOYSA-N
XLogP3.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.22
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-octoxypyrimidine?
The IUPAC name of 2-octoxypyrimidine (CID 19389365) is 2-octoxypyrimidine.
What is the SMILES notation for 2-octoxypyrimidine?
The canonical SMILES for 2-octoxypyrimidine is CCCCCCCCOc1ncccn1.
What is the InChIKey of 2-octoxypyrimidine?
The InChIKey is RJMVYATWTZLTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-5-6-7-11-15-12-13-9-8-10-14-12/h8-10H,2-7,11H2,1H3.
What are the key properties of 2-octoxypyrimidine?
2-octoxypyrimidine has a molecular weight of 208.31 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxypyrimidine is sourced from PubChem (CID 19389365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).