5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C14H12N2O6 — CID 171350527

IUPAC5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1ccc(C2CC(=O)Oc3[nH]c(=O)[nH]c(=O)c32)cc1O
InChIInChI=1S/C14H12N2O6/c1-21-9-3-2-6(4-8(9)17)7-5-10(18)22-13-11(7)12(19)15-14(20)16-13/h2-4,7,17H,5H2,1H3,(H2,15,16,19,20)
InChIKeyOKGDGZWUVVDIIA-UHFFFAOYSA-N
MW304.26 g/mol
LogP0.22
Rot. Bonds2

About 5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 171350527) has the molecular formula C14H12N2O6 and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID171350527
Molecular FormulaC14H12N2O6
Molecular Weight304.26 g/mol
Exact Mass304.07
IUPAC Name5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1ccc(C2CC(=O)Oc3[nH]c(=O)[nH]c(=O)c32)cc1O
InChIInChI=1S/C14H12N2O6/c1-21-9-3-2-6(4-8(9)17)7-5-10(18)22-13-11(7)12(19)15-14(20)16-13/h2-4,7,17H,5H2,1H3,(H2,15,16,19,20)
InChIKeyOKGDGZWUVVDIIA-UHFFFAOYSA-N
XLogP0.22
TPSA121.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 171350527) is 5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is COc1ccc(C2CC(=O)Oc3[nH]c(=O)[nH]c(=O)c32)cc1O.
What is the InChIKey of 5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is OKGDGZWUVVDIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6/c1-21-9-3-2-6(4-8(9)17)7-5-10(18)22-13-11(7)12(19)15-14(20)16-13/h2-4,7,17H,5H2,1H3,(H2,15,16,19,20).
What are the key properties of 5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 304.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 171350527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).