5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C17H16N2O3 — CID 53326574

IUPAC5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(CCc3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C17H16N2O3/c1-2-12-10-14(20)22-17-15(12)16(21)18-13(19-17)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,21)
InChIKeyIERJORUUONMJDB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.22
Rot. Bonds4

About 5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 53326574) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID53326574
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(CCc3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C17H16N2O3/c1-2-12-10-14(20)22-17-15(12)16(21)18-13(19-17)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,21)
InChIKeyIERJORUUONMJDB-UHFFFAOYSA-N
XLogP2.22
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397199
butane;5-ethyl-2-methyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 143517349
5-ethyl-2-(3-methyl-1-phenylbutoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 163869895
5-ethyl-2-[(2-methyl-5-phenylfuran-3-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304899
2-(1-fluoroethyl)-5-[(3-phenylphenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58187528
5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304878
2-[(1-benzylsulfonylpiperidin-4-ylidene)amino]oxy-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24742343
2-(difluoromethyl)-5-[(3-phenylphenyl)methyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59343618
5-ethyl-2-[[phenyl(thiophen-3-yl)methylidene]amino]oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 91146231
5-ethyl-2-[(1-methylpyridin-1-ium-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 123804461
5-ethyl-2-[(1R)-1-(2-fluorophenyl)butoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58317017
2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxy]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 59304749

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 53326574) is 5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(CCc3ccccc3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is IERJORUUONMJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-12-10-14(20)22-17-15(12)16(21)18-13(19-17)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,21).
What are the key properties of 5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 296.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-phenylethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 53326574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).