2-(3-methylbutoxy)-4-phenylpyrimidine

C15H18N2O — CID 58044672

IUPAC2-(3-methylbutoxy)-4-phenylpyrimidine
SMILESCC(C)CCOc1nccc(-c2ccccc2)n1
InChIInChI=1S/C15H18N2O/c1-12(2)9-11-18-15-16-10-8-14(17-15)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3
InChIKeyMQALEGNTJJRZJH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.57
Rot. Bonds5

About 2-(3-methylbutoxy)-4-phenylpyrimidine

2-(3-methylbutoxy)-4-phenylpyrimidine (PubChem CID 58044672) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-4-phenylpyrimidine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-4-phenylpyrimidine
PubChem CID58044672
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(3-methylbutoxy)-4-phenylpyrimidine
SMILESCC(C)CCOc1nccc(-c2ccccc2)n1
InChIInChI=1S/C15H18N2O/c1-12(2)9-11-18-15-16-10-8-14(17-15)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3
InChIKeyMQALEGNTJJRZJH-UHFFFAOYSA-N
XLogP3.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-4-phenylpyrimidine?
The IUPAC name of 2-(3-methylbutoxy)-4-phenylpyrimidine (CID 58044672) is 2-(3-methylbutoxy)-4-phenylpyrimidine.
What is the SMILES notation for 2-(3-methylbutoxy)-4-phenylpyrimidine?
The canonical SMILES for 2-(3-methylbutoxy)-4-phenylpyrimidine is CC(C)CCOc1nccc(-c2ccccc2)n1.
What is the InChIKey of 2-(3-methylbutoxy)-4-phenylpyrimidine?
The InChIKey is MQALEGNTJJRZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(2)9-11-18-15-16-10-8-14(17-15)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)-4-phenylpyrimidine?
2-(3-methylbutoxy)-4-phenylpyrimidine has a molecular weight of 242.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-4-phenylpyrimidine is sourced from PubChem (CID 58044672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).