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

C15H14N2O6 — CID 102309869

IUPAC5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1ccc(C2CC(=O)Oc3[nH]c(=O)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C15H14N2O6/c1-21-9-4-3-7(5-10(9)22-2)8-6-11(18)23-14-12(8)13(19)16-15(20)17-14/h3-5,8H,6H2,1-2H3,(H2,16,17,19,20)
InChIKeyCZYZWPJOIFARDO-UHFFFAOYSA-N
MW318.29 g/mol
LogP0.52
Rot. Bonds3

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

5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 102309869) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID102309869
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1ccc(C2CC(=O)Oc3[nH]c(=O)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C15H14N2O6/c1-21-9-4-3-7(5-10(9)22-2)8-6-11(18)23-14-12(8)13(19)16-15(20)17-14/h3-5,8H,6H2,1-2H3,(H2,16,17,19,20)
InChIKeyCZYZWPJOIFARDO-UHFFFAOYSA-N
XLogP0.52
TPSA110.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 2999242
CID 2999242
5-(3-methoxy-4-propoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 15989899
5-(2,3-dimethoxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162458
7-amino-5-(3,4-dimethoxyphenyl)-2,4-dihydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 5132532
1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 5303253
5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 171342372
5-(3,4,5-trimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 171347016
5-(4-hydroxy-3-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 171347332
Methyl 7-amino-5-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 171347347
5-(3-hydroxy-4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 171350527
Methyl 7-amino-5-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 171355387
5-(4-methoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 171357554

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 102309869) is 5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-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)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is CZYZWPJOIFARDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-21-9-4-3-7(5-10(9)22-2)8-6-11(18)23-14-12(8)13(19)16-15(20)17-14/h3-5,8H,6H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 318.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 102309869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).