6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine

C18H28N2O2 — CID 5273882

IUPAC6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine
SMILESCCCCCCCc1cc2cnc(OCCCCC)nc2o1
InChIInChI=1S/C18H28N2O2/c1-3-5-7-8-9-11-16-13-15-14-19-18(20-17(15)22-16)21-12-10-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyBAOUBHGKLQEANP-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.30
Rot. Bonds11

About 6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine

6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine (PubChem CID 5273882) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine
PubChem CID5273882
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine
SMILESCCCCCCCc1cc2cnc(OCCCCC)nc2o1
InChIInChI=1S/C18H28N2O2/c1-3-5-7-8-9-11-16-13-15-14-19-18(20-17(15)22-16)21-12-10-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyBAOUBHGKLQEANP-UHFFFAOYSA-N
XLogP5.30
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.30
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 6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine?
The IUPAC name of 6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine (CID 5273882) is 6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine?
The canonical SMILES for 6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine is CCCCCCCc1cc2cnc(OCCCCC)nc2o1.
What is the InChIKey of 6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine?
The InChIKey is BAOUBHGKLQEANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-5-7-8-9-11-16-13-15-14-19-18(20-17(15)22-16)21-12-10-6-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine?
6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine has a molecular weight of 304.43 g/mol, XLogP of 5.30, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptyl-2-pentoxyfuro[2,3-d]pyrimidine is sourced from PubChem (CID 5273882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).