5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

C9H9N3O4 — CID 54697807

IUPAC5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)cc(=O)[nH]c2n(C)c1=O
InChIInChI=1S/C9H9N3O4/c1-11-7-6(4(13)3-5(14)10-7)8(15)12(2)9(11)16/h3H,1-2H3,(H2,10,13,14)
InChIKeyCGXDXPOTZXCKEV-UHFFFAOYSA-N
MW223.19 g/mol
LogP-1.37
Rot. Bonds

About 5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione

5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 54697807) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID54697807
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)cc(=O)[nH]c2n(C)c1=O
InChIInChI=1S/C9H9N3O4/c1-11-7-6(4(13)3-5(14)10-7)8(15)12(2)9(11)16/h3H,1-2H3,(H2,10,13,14)
InChIKeyCGXDXPOTZXCKEV-UHFFFAOYSA-N
XLogP-1.37
TPSA97.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 54697807) is 5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(O)cc(=O)[nH]c2n(C)c1=O.
What is the InChIKey of 5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is CGXDXPOTZXCKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-11-7-6(4(13)3-5(14)10-7)8(15)12(2)9(11)16/h3H,1-2H3,(H2,10,13,14).
What are the key properties of 5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 223.19 g/mol, XLogP of -1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 54697807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).