5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione

C14H18N2O5 — CID 24957084

IUPAC5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione
SMILESCCCCc1cc(=O)oc2[nH]c(=O)nc(OCCOC)c12
InChIInChI=1S/C14H18N2O5/c1-3-4-5-9-8-10(17)21-13-11(9)12(15-14(18)16-13)20-7-6-19-2/h8H,3-7H2,1-2H3,(H,15,16,18)
InChIKeyUFMUPNYDZUBBKM-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.24
Rot. Bonds7

About 5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione

5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione (PubChem CID 24957084) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione
PubChem CID24957084
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione
SMILESCCCCc1cc(=O)oc2[nH]c(=O)nc(OCCOC)c12
InChIInChI=1S/C14H18N2O5/c1-3-4-5-9-8-10(17)21-13-11(9)12(15-14(18)16-13)20-7-6-19-2/h8H,3-7H2,1-2H3,(H,15,16,18)
InChIKeyUFMUPNYDZUBBKM-UHFFFAOYSA-N
XLogP1.24
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione?
The IUPAC name of 5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione (CID 24957084) is 5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione.
What is the SMILES notation for 5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione?
The canonical SMILES for 5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione is CCCCc1cc(=O)oc2[nH]c(=O)nc(OCCOC)c12.
What is the InChIKey of 5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione?
The InChIKey is UFMUPNYDZUBBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-4-5-9-8-10(17)21-13-11(9)12(15-14(18)16-13)20-7-6-19-2/h8H,3-7H2,1-2H3,(H,15,16,18).
What are the key properties of 5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione?
5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione has a molecular weight of 294.31 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(2-methoxyethoxy)-1H-pyrano[2,3-d]pyrimidine-2,7-dione is sourced from PubChem (CID 24957084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).