5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione

C16H16N2O4 — CID 11255041

IUPAC5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(C2C=COc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H16N2O4/c1-17-14(19)13-12(10-4-6-11(21-3)7-5-10)8-9-22-15(13)18(2)16(17)20/h4-9,12H,1-3H3
InChIKeyRYUJXSXJCRCTRP-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.13
Rot. Bonds2

About 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione

5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione (PubChem CID 11255041) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione
PubChem CID11255041
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(C2C=COc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C16H16N2O4/c1-17-14(19)13-12(10-4-6-11(21-3)7-5-10)8-9-22-15(13)18(2)16(17)20/h4-9,12H,1-3H3
InChIKeyRYUJXSXJCRCTRP-UHFFFAOYSA-N
XLogP1.13
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

3-(4-Methoxyphenyl)-4-methyl-1-(piperidin-1-yl)pentan-1-one
CID 3751885
5-benzyl-6-(4-(4-methoxyphenyl)piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426789
5-benzyl-6-(4-(2-methoxyphenyl)piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426790
5-benzyl-6-(4-(3-methoxyphenyl)piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426795
5-(4-Methoxybenzyl)-2,4-pyrimidinediol
CID 867850
5-(4-Butoxybenzyl)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2294288
6-amino-5-[(6-amino-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(4-methoxyphenyl)methyl]-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
CID 2816956
5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 3162456
2,4,6,6-tetramethyl-4,6a,7,12b-tetrahydro-1H,6H-chromeno[4',3':4,5]pyrano[2,3-d]pyrimidine-1,3(2H)-dione
CID 3744541
[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 5037526
(E)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxy-5-(3-(4-methoxyphenyl)acryloyl)pyrimidine-2,4(1H,3H)-dione
CID 6224551
3-Hydroxy-6-[2-(4-methoxyphenyl)phenoxy]-1-methyl-pyrimidine-2,4-dione
CID 129906746

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione (CID 11255041) is 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione is COc1ccc(C2C=COc3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RYUJXSXJCRCTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-17-14(19)13-12(10-4-6-11(21-3)7-5-10)8-9-22-15(13)18(2)16(17)20/h4-9,12H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione has a molecular weight of 300.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11255041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).