5-hex-1-ynyl-1H-pyrimidine-2,4-dione

C10H12N2O2 — CID 11679964

IUPAC5-hex-1-ynyl-1H-pyrimidine-2,4-dione
SMILESCCCCC#Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O2/c1-2-3-4-5-6-8-7-11-10(14)12-9(8)13/h7H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyTUFMBCUUDJKPJB-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.60
Rot. Bonds2

About 5-hex-1-ynyl-1H-pyrimidine-2,4-dione

5-hex-1-ynyl-1H-pyrimidine-2,4-dione (PubChem CID 11679964) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-hex-1-ynyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-hex-1-ynyl-1H-pyrimidine-2,4-dione
PubChem CID11679964
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-hex-1-ynyl-1H-pyrimidine-2,4-dione
SMILESCCCCC#Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O2/c1-2-3-4-5-6-8-7-11-10(14)12-9(8)13/h7H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyTUFMBCUUDJKPJB-UHFFFAOYSA-N
XLogP0.60
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-hex-1-ynyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-hex-1-ynyl-1H-pyrimidine-2,4-dione (CID 11679964) is 5-hex-1-ynyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-hex-1-ynyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-hex-1-ynyl-1H-pyrimidine-2,4-dione is CCCCC#Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-hex-1-ynyl-1H-pyrimidine-2,4-dione?
The InChIKey is TUFMBCUUDJKPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-3-4-5-6-8-7-11-10(14)12-9(8)13/h7H,2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-hex-1-ynyl-1H-pyrimidine-2,4-dione?
5-hex-1-ynyl-1H-pyrimidine-2,4-dione has a molecular weight of 192.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-ynyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11679964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).