5-butoxy-2,4-dimethylpyrimidine

C10H16N2O — CID 67475272

IUPAC5-butoxy-2,4-dimethylpyrimidine
SMILESCCCCOc1cnc(C)nc1C
InChIInChI=1S/C10H16N2O/c1-4-5-6-13-10-7-11-9(3)12-8(10)2/h7H,4-6H2,1-3H3
InChIKeyULUMLGYIRMPFEE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.27
Rot. Bonds4

About 5-butoxy-2,4-dimethylpyrimidine

5-butoxy-2,4-dimethylpyrimidine (PubChem CID 67475272) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-butoxy-2,4-dimethylpyrimidine.

Molecular Properties

Compound Name5-butoxy-2,4-dimethylpyrimidine
PubChem CID67475272
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-butoxy-2,4-dimethylpyrimidine
SMILESCCCCOc1cnc(C)nc1C
InChIInChI=1S/C10H16N2O/c1-4-5-6-13-10-7-11-9(3)12-8(10)2/h7H,4-6H2,1-3H3
InChIKeyULUMLGYIRMPFEE-UHFFFAOYSA-N
XLogP2.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.27
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 5-butoxy-2,4-dimethylpyrimidine?
The IUPAC name of 5-butoxy-2,4-dimethylpyrimidine (CID 67475272) is 5-butoxy-2,4-dimethylpyrimidine.
What is the SMILES notation for 5-butoxy-2,4-dimethylpyrimidine?
The canonical SMILES for 5-butoxy-2,4-dimethylpyrimidine is CCCCOc1cnc(C)nc1C.
What is the InChIKey of 5-butoxy-2,4-dimethylpyrimidine?
The InChIKey is ULUMLGYIRMPFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-6-13-10-7-11-9(3)12-8(10)2/h7H,4-6H2,1-3H3.
What are the key properties of 5-butoxy-2,4-dimethylpyrimidine?
5-butoxy-2,4-dimethylpyrimidine has a molecular weight of 180.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2,4-dimethylpyrimidine is sourced from PubChem (CID 67475272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).