1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione

C19H18N2O5 — CID 58317165

IUPAC1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1cc(=O)oc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2CC
InChIInChI=1S/C19H18N2O5/c1-3-12-10-15(23)26-18-16(12)17(24)21(19(25)20(18)4-2)11-14(22)13-8-6-5-7-9-13/h5-10H,3-4,11H2,1-2H3
InChIKeyYLIIZGRTPMLVSQ-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.58
Rot. Bonds5

About 1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione

1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 58317165) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID58317165
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1cc(=O)oc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2CC
InChIInChI=1S/C19H18N2O5/c1-3-12-10-15(23)26-18-16(12)17(24)21(19(25)20(18)4-2)11-14(22)13-8-6-5-7-9-13/h5-10H,3-4,11H2,1-2H3
InChIKeyYLIIZGRTPMLVSQ-UHFFFAOYSA-N
XLogP1.58
TPSA91.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (E)-4-[5-ethyl-6-(naphthalene-1-carbonyl)-2,4-dioxo-pyrimidin-1-yl]but-2-enoate
CID 16074513
N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)-4-fluorobenzamide
CID 2296273
N-(1,3-dimethyl-2,4,7-trioxopyrano[2,3-d]pyrimidin-6-yl)-2-fluorobenzamide
CID 1276767
5-ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 15605502
5-ethyl-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 15605504
5-Ethyl-3-[2-(3-fluorophenyl)-2-oxoethyl]pyrano[2,3-d]pyrimidine-4,7-dione
CID 58187498
4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317254
5-Ethyl-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304854
N-{1,3-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,7H-pyrano[2,3-d]pyrimidin-6-yl}benzamide
CID 1475727
ethyl (E)-3-[1-methyl-9-(4-methylbenzoyl)-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-7-yl]prop-2-enoate
CID 10045336
ethyl (E)-3-(9-benzoyl-1-methyl-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-7-yl)prop-2-enoate
CID 10090310
5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 15605430

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione (CID 58317165) is 1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione is CCc1cc(=O)oc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2CC.
What is the InChIKey of 1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is YLIIZGRTPMLVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-3-12-10-15(23)26-18-16(12)17(24)21(19(25)20(18)4-2)11-14(22)13-8-6-5-7-9-13/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione?
1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 354.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 58317165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).