2-butoxy-6-hexylfuro[2,3-d]pyrimidine

C16H24N2O2 — CID 5273892

IUPAC2-butoxy-6-hexylfuro[2,3-d]pyrimidine
SMILESCCCCCCc1cc2cnc(OCCCC)nc2o1
InChIInChI=1S/C16H24N2O2/c1-3-5-7-8-9-14-11-13-12-17-16(18-15(13)20-14)19-10-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyUKZNENNGHKJCCI-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.52
Rot. Bonds9

About 2-butoxy-6-hexylfuro[2,3-d]pyrimidine

2-butoxy-6-hexylfuro[2,3-d]pyrimidine (PubChem CID 5273892) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-butoxy-6-hexylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-butoxy-6-hexylfuro[2,3-d]pyrimidine
PubChem CID5273892
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-butoxy-6-hexylfuro[2,3-d]pyrimidine
SMILESCCCCCCc1cc2cnc(OCCCC)nc2o1
InChIInChI=1S/C16H24N2O2/c1-3-5-7-8-9-14-11-13-12-17-16(18-15(13)20-14)19-10-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyUKZNENNGHKJCCI-UHFFFAOYSA-N
XLogP4.52
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-butoxy-6-hexylfuro[2,3-d]pyrimidine?
The IUPAC name of 2-butoxy-6-hexylfuro[2,3-d]pyrimidine (CID 5273892) is 2-butoxy-6-hexylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-butoxy-6-hexylfuro[2,3-d]pyrimidine?
The canonical SMILES for 2-butoxy-6-hexylfuro[2,3-d]pyrimidine is CCCCCCc1cc2cnc(OCCCC)nc2o1.
What is the InChIKey of 2-butoxy-6-hexylfuro[2,3-d]pyrimidine?
The InChIKey is UKZNENNGHKJCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-7-8-9-14-11-13-12-17-16(18-15(13)20-14)19-10-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-butoxy-6-hexylfuro[2,3-d]pyrimidine?
2-butoxy-6-hexylfuro[2,3-d]pyrimidine has a molecular weight of 276.38 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-hexylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 5273892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).