5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C20H22N2O4 — CID 58317064

IUPAC5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(O[C@H](c3ccccc3C)C(C)C)[nH]c(=O)c12
InChIInChI=1S/C20H22N2O4/c1-5-13-10-15(23)25-19-16(13)18(24)21-20(22-19)26-17(11(2)3)14-9-7-6-8-12(14)4/h6-11,17H,5H2,1-4H3,(H,21,22,24)/t17-/m0/s1
InChIKeyQFOAPCWXWFVJBN-KRWDZBQOSA-N
MW354.41 g/mol
LogP3.52
Rot. Bonds5

About 5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58317064) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58317064
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(O[C@H](c3ccccc3C)C(C)C)[nH]c(=O)c12
InChIInChI=1S/C20H22N2O4/c1-5-13-10-15(23)25-19-16(13)18(24)21-20(22-19)26-17(11(2)3)14-9-7-6-8-12(14)4/h6-11,17H,5H2,1-4H3,(H,21,22,24)/t17-/m0/s1
InChIKeyQFOAPCWXWFVJBN-KRWDZBQOSA-N
XLogP3.52
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58317064) is 5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(O[C@H](c3ccccc3C)C(C)C)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is QFOAPCWXWFVJBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-5-13-10-15(23)25-19-16(13)18(24)21-20(22-19)26-17(11(2)3)14-9-7-6-8-12(14)4/h6-11,17H,5H2,1-4H3,(H,21,22,24)/t17-/m0/s1.
What are the key properties of 5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 354.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(1S)-2-methyl-1-(2-methylphenyl)propoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58317064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).