6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine

C19H22N2O2 — CID 5273893

IUPAC6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine
SMILESCCCCCCc1cc2cnc(OCc3ccccc3)nc2o1
InChIInChI=1S/C19H22N2O2/c1-2-3-4-8-11-17-12-16-13-20-19(21-18(16)23-17)22-14-15-9-6-5-7-10-15/h5-7,9-10,12-13H,2-4,8,11,14H2,1H3
InChIKeyUFIBEEFIYFZUQZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.92
Rot. Bonds8

About 6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine

6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine (PubChem CID 5273893) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine
PubChem CID5273893
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine
SMILESCCCCCCc1cc2cnc(OCc3ccccc3)nc2o1
InChIInChI=1S/C19H22N2O2/c1-2-3-4-8-11-17-12-16-13-20-19(21-18(16)23-17)22-14-15-9-6-5-7-10-15/h5-7,9-10,12-13H,2-4,8,11,14H2,1H3
InChIKeyUFIBEEFIYFZUQZ-UHFFFAOYSA-N
XLogP4.92
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.92
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-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine?
The IUPAC name of 6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine (CID 5273893) is 6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine?
The canonical SMILES for 6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine is CCCCCCc1cc2cnc(OCc3ccccc3)nc2o1.
What is the InChIKey of 6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine?
The InChIKey is UFIBEEFIYFZUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-3-4-8-11-17-12-16-13-20-19(21-18(16)23-17)22-14-15-9-6-5-7-10-15/h5-7,9-10,12-13H,2-4,8,11,14H2,1H3.
What are the key properties of 6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine?
6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine has a molecular weight of 310.40 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-2-phenylmethoxyfuro[2,3-d]pyrimidine is sourced from PubChem (CID 5273893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).