5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C18H18N2O4 — CID 59304571

IUPAC5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(O[C@H](C)c3ccccc3C)[nH]c(=O)c12
InChIInChI=1S/C18H18N2O4/c1-4-12-9-14(21)24-17-15(12)16(22)19-18(20-17)23-11(3)13-8-6-5-7-10(13)2/h5-9,11H,4H2,1-3H3,(H,19,20,22)/t11-/m1/s1
InChIKeyJNNXCIDUSQSCCD-LLVKDONJSA-N
MW326.35 g/mol
LogP2.89
Rot. Bonds4

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

5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304571) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304571
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(O[C@H](C)c3ccccc3C)[nH]c(=O)c12
InChIInChI=1S/C18H18N2O4/c1-4-12-9-14(21)24-17-15(12)16(22)19-18(20-17)23-11(3)13-8-6-5-7-10(13)2/h5-9,11H,4H2,1-3H3,(H,19,20,22)/t11-/m1/s1
InChIKeyJNNXCIDUSQSCCD-LLVKDONJSA-N
XLogP2.89
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304571) is 5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(O[C@H](C)c3ccccc3C)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is JNNXCIDUSQSCCD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-4-12-9-14(21)24-17-15(12)16(22)19-18(20-17)23-11(3)13-8-6-5-7-10(13)2/h5-9,11H,4H2,1-3H3,(H,19,20,22)/t11-/m1/s1.
What are the key properties of 5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 326.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(1R)-1-(2-methylphenyl)ethoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).