5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C16H15N3O4 — CID 54679227

IUPAC5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(-c3ccccc3)c(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C16H15N3O4/c1-17-13-11(15(22)19(3)16(23)18(13)2)12(20)10(14(17)21)9-7-5-4-6-8-9/h4-8,20H,1-3H3
InChIKeyYGJHZFPEJOKJOH-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.31
Rot. Bonds1

About 5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 54679227) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID54679227
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(-c3ccccc3)c(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C16H15N3O4/c1-17-13-11(15(22)19(3)16(23)18(13)2)12(20)10(14(17)21)9-7-5-4-6-8-9/h4-8,20H,1-3H3
InChIKeyYGJHZFPEJOKJOH-UHFFFAOYSA-N
XLogP0.31
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 54679227) is 5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(O)c(-c3ccccc3)c(=O)n(C)c2n(C)c1=O.
What is the InChIKey of 5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is YGJHZFPEJOKJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-17-13-11(15(22)19(3)16(23)18(13)2)12(20)10(14(17)21)9-7-5-4-6-8-9/h4-8,20H,1-3H3.
What are the key properties of 5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 313.31 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 54679227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).