5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione

C8H7N3O4 — CID 91208737

IUPAC5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)[nH]c2[nH]c(=O)cc(O)c2c1=O
InChIInChI=1S/C8H7N3O4/c1-11-7(14)5-3(12)2-4(13)9-6(5)10-8(11)15/h2H,1H3,(H3,9,10,12,13,15)
InChIKeyRATSKKYQLMELFZ-UHFFFAOYSA-N
MW209.16 g/mol
LogP-1.38
Rot. Bonds

About 5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione

5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 91208737) has the molecular formula C8H7N3O4 and a molecular weight of 209.16 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID91208737
Molecular FormulaC8H7N3O4
Molecular Weight209.16 g/mol
Exact Mass209.04
IUPAC Name5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)[nH]c2[nH]c(=O)cc(O)c2c1=O
InChIInChI=1S/C8H7N3O4/c1-11-7(14)5-3(12)2-4(13)9-6(5)10-8(11)15/h2H,1H3,(H3,9,10,12,13,15)
InChIKeyRATSKKYQLMELFZ-UHFFFAOYSA-N
XLogP-1.38
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione (CID 91208737) is 5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)[nH]c2[nH]c(=O)cc(O)c2c1=O.
What is the InChIKey of 5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is RATSKKYQLMELFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4/c1-11-7(14)5-3(12)2-4(13)9-6(5)10-8(11)15/h2H,1H3,(H3,9,10,12,13,15).
What are the key properties of 5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione?
5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 209.16 g/mol, XLogP of -1.38, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-1,8-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 91208737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).