1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione

C13H19N2O5P — CID 18939369

IUPAC1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(C2C=CC(OCP(C)(C)=O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H19N2O5P/c1-4-9-7-15(13(17)14-12(9)16)10-5-6-11(20-10)19-8-21(2,3)18/h5-7,10-11H,4,8H2,1-3H3,(H,14,16,17)
InChIKeyCIABTWYHNNXKLY-UHFFFAOYSA-N
MW314.28 g/mol
LogP1.11
Rot. Bonds5

About 1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione

1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione (PubChem CID 18939369) has the molecular formula C13H19N2O5P and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione
PubChem CID18939369
Molecular FormulaC13H19N2O5P
Molecular Weight314.28 g/mol
Exact Mass314.10
IUPAC Name1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(C2C=CC(OCP(C)(C)=O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H19N2O5P/c1-4-9-7-15(13(17)14-12(9)16)10-5-6-11(20-10)19-8-21(2,3)18/h5-7,10-11H,4,8H2,1-3H3,(H,14,16,17)
InChIKeyCIABTWYHNNXKLY-UHFFFAOYSA-N
XLogP1.11
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione (CID 18939369) is 1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione is CCc1cn(C2C=CC(OCP(C)(C)=O)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is CIABTWYHNNXKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O5P/c1-4-9-7-15(13(17)14-12(9)16)10-5-6-11(20-10)19-8-21(2,3)18/h5-7,10-11H,4,8H2,1-3H3,(H,14,16,17).
What are the key properties of 1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione?
1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 314.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylphosphorylmethoxy)-2,5-dihydrofuran-2-yl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 18939369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).