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

C23H30N2O2 — CID 5273887

IUPAC6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine
SMILESCCCCCCCCCCc1cc2cnc(OCc3ccccc3)nc2o1
InChIInChI=1S/C23H30N2O2/c1-2-3-4-5-6-7-8-12-15-21-16-20-17-24-23(25-22(20)27-21)26-18-19-13-10-9-11-14-19/h9-11,13-14,16-17H,2-8,12,15,18H2,1H3
InChIKeyWPBREFGZVZQDRH-UHFFFAOYSA-N
MW366.51 g/mol
LogP6.49
Rot. Bonds12

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

6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine (PubChem CID 5273887) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine
PubChem CID5273887
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine
SMILESCCCCCCCCCCc1cc2cnc(OCc3ccccc3)nc2o1
InChIInChI=1S/C23H30N2O2/c1-2-3-4-5-6-7-8-12-15-21-16-20-17-24-23(25-22(20)27-21)26-18-19-13-10-9-11-14-19/h9-11,13-14,16-17H,2-8,12,15,18H2,1H3
InChIKeyWPBREFGZVZQDRH-UHFFFAOYSA-N
XLogP6.49
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 56.49
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-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine?
The IUPAC name of 6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine (CID 5273887) is 6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine?
The canonical SMILES for 6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine is CCCCCCCCCCc1cc2cnc(OCc3ccccc3)nc2o1.
What is the InChIKey of 6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine?
The InChIKey is WPBREFGZVZQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-3-4-5-6-7-8-12-15-21-16-20-17-24-23(25-22(20)27-21)26-18-19-13-10-9-11-14-19/h9-11,13-14,16-17H,2-8,12,15,18H2,1H3.
What are the key properties of 6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine?
6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine has a molecular weight of 366.51 g/mol, XLogP of 6.49, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-2-phenylmethoxyfuro[2,3-d]pyrimidine is sourced from PubChem (CID 5273887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).