2-butoxypyrimidine

C8H12N2O — CID 19373012

IUPAC2-butoxypyrimidine
SMILESCCCCOc1ncccn1
InChIInChI=1S/C8H12N2O/c1-2-3-7-11-8-9-5-4-6-10-8/h4-6H,2-3,7H2,1H3
InChIKeyKNATWQKKAILTOM-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.66
Rot. Bonds4

About 2-butoxypyrimidine

2-butoxypyrimidine (PubChem CID 19373012) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-butoxypyrimidine.

Molecular Properties

Compound Name2-butoxypyrimidine
PubChem CID19373012
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-butoxypyrimidine
SMILESCCCCOc1ncccn1
InChIInChI=1S/C8H12N2O/c1-2-3-7-11-8-9-5-4-6-10-8/h4-6H,2-3,7H2,1H3
InChIKeyKNATWQKKAILTOM-UHFFFAOYSA-N
XLogP1.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butoxypyrimidine?
The IUPAC name of 2-butoxypyrimidine (CID 19373012) is 2-butoxypyrimidine.
What is the SMILES notation for 2-butoxypyrimidine?
The canonical SMILES for 2-butoxypyrimidine is CCCCOc1ncccn1.
What is the InChIKey of 2-butoxypyrimidine?
The InChIKey is KNATWQKKAILTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-7-11-8-9-5-4-6-10-8/h4-6H,2-3,7H2,1H3.
What are the key properties of 2-butoxypyrimidine?
2-butoxypyrimidine has a molecular weight of 152.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxypyrimidine is sourced from PubChem (CID 19373012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).