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

C19H30N2O2 — CID 5273885

IUPAC6-decyl-2-propoxyfuro[2,3-d]pyrimidine
SMILESCCCCCCCCCCc1cc2cnc(OCCC)nc2o1
InChIInChI=1S/C19H30N2O2/c1-3-5-6-7-8-9-10-11-12-17-14-16-15-20-19(22-13-4-2)21-18(16)23-17/h14-15H,3-13H2,1-2H3
InChIKeyDBXYTRATUOCNHK-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.69
Rot. Bonds12

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

6-decyl-2-propoxyfuro[2,3-d]pyrimidine (PubChem CID 5273885) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 6-decyl-2-propoxyfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-decyl-2-propoxyfuro[2,3-d]pyrimidine
PubChem CID5273885
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name6-decyl-2-propoxyfuro[2,3-d]pyrimidine
SMILESCCCCCCCCCCc1cc2cnc(OCCC)nc2o1
InChIInChI=1S/C19H30N2O2/c1-3-5-6-7-8-9-10-11-12-17-14-16-15-20-19(22-13-4-2)21-18(16)23-17/h14-15H,3-13H2,1-2H3
InChIKeyDBXYTRATUOCNHK-UHFFFAOYSA-N
XLogP5.69
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.69
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-propoxyfuro[2,3-d]pyrimidine?
The IUPAC name of 6-decyl-2-propoxyfuro[2,3-d]pyrimidine (CID 5273885) is 6-decyl-2-propoxyfuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-decyl-2-propoxyfuro[2,3-d]pyrimidine?
The canonical SMILES for 6-decyl-2-propoxyfuro[2,3-d]pyrimidine is CCCCCCCCCCc1cc2cnc(OCCC)nc2o1.
What is the InChIKey of 6-decyl-2-propoxyfuro[2,3-d]pyrimidine?
The InChIKey is DBXYTRATUOCNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-5-6-7-8-9-10-11-12-17-14-16-15-20-19(22-13-4-2)21-18(16)23-17/h14-15H,3-13H2,1-2H3.
What are the key properties of 6-decyl-2-propoxyfuro[2,3-d]pyrimidine?
6-decyl-2-propoxyfuro[2,3-d]pyrimidine has a molecular weight of 318.46 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-2-propoxyfuro[2,3-d]pyrimidine is sourced from PubChem (CID 5273885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).