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

C14H12N2O5 — CID 171357554

IUPAC5-(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)cc1
InChIInChI=1S/C14H12N2O5/c1-20-8-4-2-7(3-5-8)9-6-10(17)21-13-11(9)12(18)15-14(19)16-13/h2-5,9H,6H2,1H3,(H2,15,16,18,19)
InChIKeyQQQDYECZFIEMMT-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.51
Rot. Bonds2

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

5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 171357554) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID171357554
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name5-(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)cc1
InChIInChI=1S/C14H12N2O5/c1-20-8-4-2-7(3-5-8)9-6-10(17)21-13-11(9)12(18)15-14(19)16-13/h2-5,9H,6H2,1H3,(H2,15,16,18,19)
InChIKeyQQQDYECZFIEMMT-UHFFFAOYSA-N
XLogP0.51
TPSA101.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 171357554) is 5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(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)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is QQQDYECZFIEMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-20-8-4-2-7(3-5-8)9-6-10(17)21-13-11(9)12(18)15-14(19)16-13/h2-5,9H,6H2,1H3,(H2,15,16,18,19).
What are the key properties of 5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 288.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 171357554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).