(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione

C17H20N2O4 — CID 102263224

IUPAC(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
SMILESCCO[C@@H]1C[C@@H](c2ccccc2)c2c(n(C)c(=O)n(C)c2=O)O1
InChIInChI=1S/C17H20N2O4/c1-4-22-13-10-12(11-8-6-5-7-9-11)14-15(20)18(2)17(21)19(3)16(14)23-13/h5-9,12-13H,4,10H2,1-3H3/t12-,13-/m0/s1
InChIKeyTZGAQICXQNYLKM-STQMWFEESA-N
MW316.36 g/mol
LogP1.36
Rot. Bonds3

About (5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione

(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione (PubChem CID 102263224) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
PubChem CID102263224
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
SMILESCCO[C@@H]1C[C@@H](c2ccccc2)c2c(n(C)c(=O)n(C)c2=O)O1
InChIInChI=1S/C17H20N2O4/c1-4-22-13-10-12(11-8-6-5-7-9-11)14-15(20)18(2)17(21)19(3)16(14)23-13/h5-9,12-13H,4,10H2,1-3H3/t12-,13-/m0/s1
InChIKeyTZGAQICXQNYLKM-STQMWFEESA-N
XLogP1.36
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione (CID 102263224) is (5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione is CCO[C@@H]1C[C@@H](c2ccccc2)c2c(n(C)c(=O)n(C)c2=O)O1.
What is the InChIKey of (5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The InChIKey is TZGAQICXQNYLKM-STQMWFEESA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-22-13-10-12(11-8-6-5-7-9-11)14-15(20)18(2)17(21)19(3)16(14)23-13/h5-9,12-13H,4,10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 102263224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).