5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

C17H17N3O4 — CID 59823049

IUPAC5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1ccc(Cn2cnc3c(c(O)c(C)c(=O)n3C)c2=O)cc1
InChIInChI=1S/C17H17N3O4/c1-10-14(21)13-15(19(2)16(10)22)18-9-20(17(13)23)8-11-4-6-12(24-3)7-5-11/h4-7,9,21H,8H2,1-3H3
InChIKeyRLVCQXGUOYCKQY-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.17
Rot. Bonds3

About 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione

5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 59823049) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID59823049
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1ccc(Cn2cnc3c(c(O)c(C)c(=O)n3C)c2=O)cc1
InChIInChI=1S/C17H17N3O4/c1-10-14(21)13-15(19(2)16(10)22)18-9-20(17(13)23)8-11-4-6-12(24-3)7-5-11/h4-7,9,21H,8H2,1-3H3
InChIKeyRLVCQXGUOYCKQY-UHFFFAOYSA-N
XLogP1.17
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione (CID 59823049) is 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is COc1ccc(Cn2cnc3c(c(O)c(C)c(=O)n3C)c2=O)cc1.
What is the InChIKey of 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is RLVCQXGUOYCKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10-14(21)13-15(19(2)16(10)22)18-9-20(17(13)23)8-11-4-6-12(24-3)7-5-11/h4-7,9,21H,8H2,1-3H3.
What are the key properties of 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione?
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 327.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59823049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).