6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one

C13H14N2O2 — CID 11528737

IUPAC6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one
SMILESCCCCC#Cc1cc2cn(C)c(=O)nc2o1
InChIInChI=1S/C13H14N2O2/c1-3-4-5-6-7-11-8-10-9-15(2)13(16)14-12(10)17-11/h8-9H,3-5H2,1-2H3
InChIKeyHWVFXMXQMHRNLM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.07
Rot. Bonds2

About 6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one

6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one (PubChem CID 11528737) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one
PubChem CID11528737
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one
SMILESCCCCC#Cc1cc2cn(C)c(=O)nc2o1
InChIInChI=1S/C13H14N2O2/c1-3-4-5-6-7-11-8-10-9-15(2)13(16)14-12(10)17-11/h8-9H,3-5H2,1-2H3
InChIKeyHWVFXMXQMHRNLM-UHFFFAOYSA-N
XLogP2.07
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one (CID 11528737) is 6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one is CCCCC#Cc1cc2cn(C)c(=O)nc2o1.
What is the InChIKey of 6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one?
The InChIKey is HWVFXMXQMHRNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-4-5-6-7-11-8-10-9-15(2)13(16)14-12(10)17-11/h8-9H,3-5H2,1-2H3.
What are the key properties of 6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one?
6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hex-1-ynyl-3-methylfuro[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 11528737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).