5-butyl-4-ethoxy-2,6-dimethylpyrimidine

C12H20N2O — CID 15425429

IUPAC5-butyl-4-ethoxy-2,6-dimethylpyrimidine
SMILESCCCCc1c(C)nc(C)nc1OCC
InChIInChI=1S/C12H20N2O/c1-5-7-8-11-9(3)13-10(4)14-12(11)15-6-2/h5-8H2,1-4H3
InChIKeyCDHCBDNMKXGTCR-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.83
Rot. Bonds5

About 5-butyl-4-ethoxy-2,6-dimethylpyrimidine

5-butyl-4-ethoxy-2,6-dimethylpyrimidine (PubChem CID 15425429) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-butyl-4-ethoxy-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name5-butyl-4-ethoxy-2,6-dimethylpyrimidine
PubChem CID15425429
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-butyl-4-ethoxy-2,6-dimethylpyrimidine
SMILESCCCCc1c(C)nc(C)nc1OCC
InChIInChI=1S/C12H20N2O/c1-5-7-8-11-9(3)13-10(4)14-12(11)15-6-2/h5-8H2,1-4H3
InChIKeyCDHCBDNMKXGTCR-UHFFFAOYSA-N
XLogP2.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-ethoxy-2,6-dimethylpyrimidine?
The IUPAC name of 5-butyl-4-ethoxy-2,6-dimethylpyrimidine (CID 15425429) is 5-butyl-4-ethoxy-2,6-dimethylpyrimidine.
What is the SMILES notation for 5-butyl-4-ethoxy-2,6-dimethylpyrimidine?
The canonical SMILES for 5-butyl-4-ethoxy-2,6-dimethylpyrimidine is CCCCc1c(C)nc(C)nc1OCC.
What is the InChIKey of 5-butyl-4-ethoxy-2,6-dimethylpyrimidine?
The InChIKey is CDHCBDNMKXGTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-7-8-11-9(3)13-10(4)14-12(11)15-6-2/h5-8H2,1-4H3.
What are the key properties of 5-butyl-4-ethoxy-2,6-dimethylpyrimidine?
5-butyl-4-ethoxy-2,6-dimethylpyrimidine has a molecular weight of 208.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-ethoxy-2,6-dimethylpyrimidine is sourced from PubChem (CID 15425429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).