5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C17H14N2O4 — CID 59304804

IUPAC5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(CC3Cc4ccccc4C3)cc(=O)oc2[nH]1
InChIInChI=1S/C17H14N2O4/c20-13-8-12(14-15(21)18-17(22)19-16(14)23-13)7-9-5-10-3-1-2-4-11(10)6-9/h1-4,8-9H,5-7H2,(H2,18,19,21,22)
InChIKeyMZPAKDKSRWIGPE-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.13
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59304804) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59304804
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(CC3Cc4ccccc4C3)cc(=O)oc2[nH]1
InChIInChI=1S/C17H14N2O4/c20-13-8-12(14-15(21)18-17(22)19-16(14)23-13)7-9-5-10-3-1-2-4-11(10)6-9/h1-4,8-9H,5-7H2,(H2,18,19,21,22)
InChIKeyMZPAKDKSRWIGPE-UHFFFAOYSA-N
XLogP1.13
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione with MolForge

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Related Compounds

5-[(4-fluorophenyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 70681781
5-(3-phenylpropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 70683894
5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 70696472
5-[(3-fluorophenyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304728
5-[(2-fluorophenyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304743
5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304875
4-(2,3-dihydro-1H-inden-2-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317207
5-(4-phenylbut-3-ynyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304596
3-[(2,4,7-trioxo-1H-pyrano[2,3-d]pyrimidin-5-yl)methyl]benzonitrile
CID 59304627
5-ethyl-6-(2-phenylethynyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304664
5-(2-cyclobutylethyl)-6-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304688
5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304752

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 59304804) is 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=c1[nH]c(=O)c2c(CC3Cc4ccccc4C3)cc(=O)oc2[nH]1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is MZPAKDKSRWIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-13-8-12(14-15(21)18-17(22)19-16(14)23-13)7-9-5-10-3-1-2-4-11(10)6-9/h1-4,8-9H,5-7H2,(H2,18,19,21,22).
What are the key properties of 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 310.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-2-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59304804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).