2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine

C22H34N2O2 — CID 508055

IUPAC2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine
SMILESCCCCCCCCCCc1cc2cnc(OC3CCCCC3)nc2o1
InChIInChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-10-15-20-16-18-17-23-22(24-21(18)25-20)26-19-13-11-9-12-14-19/h16-17,19H,2-15H2,1H3
InChIKeyCBQJORGWFPFBGK-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.62
Rot. Bonds11

About 2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine

2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine (PubChem CID 508055) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine
PubChem CID508055
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine
SMILESCCCCCCCCCCc1cc2cnc(OC3CCCCC3)nc2o1
InChIInChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-10-15-20-16-18-17-23-22(24-21(18)25-20)26-19-13-11-9-12-14-19/h16-17,19H,2-15H2,1H3
InChIKeyCBQJORGWFPFBGK-UHFFFAOYSA-N
XLogP6.62
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.62
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-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine?
The IUPAC name of 2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine (CID 508055) is 2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine?
The canonical SMILES for 2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine is CCCCCCCCCCc1cc2cnc(OC3CCCCC3)nc2o1.
What is the InChIKey of 2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine?
The InChIKey is CBQJORGWFPFBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-10-15-20-16-18-17-23-22(24-21(18)25-20)26-19-13-11-9-12-14-19/h16-17,19H,2-15H2,1H3.
What are the key properties of 2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine?
2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine has a molecular weight of 358.53 g/mol, XLogP of 6.62, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-6-decylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 508055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).