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

C10H11N3O4 — CID 56690564

IUPAC5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(O)c2c(=O)n(C)c(=O)n(C)c2[nH]c1=O
InChIInChI=1S/C10H11N3O4/c1-4-6(14)5-7(11-8(4)15)12(2)10(17)13(3)9(5)16/h1-3H3,(H2,11,14,15)
InChIKeyVRDNDOZPDZYKIF-UHFFFAOYSA-N
MW237.21 g/mol
LogP-1.06
Rot. Bonds

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

5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 56690564) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID56690564
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(O)c2c(=O)n(C)c(=O)n(C)c2[nH]c1=O
InChIInChI=1S/C10H11N3O4/c1-4-6(14)5-7(11-8(4)15)12(2)10(17)13(3)9(5)16/h1-3H3,(H2,11,14,15)
InChIKeyVRDNDOZPDZYKIF-UHFFFAOYSA-N
XLogP-1.06
TPSA97.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 56690564) is 5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione is Cc1c(O)c2c(=O)n(C)c(=O)n(C)c2[nH]c1=O.
What is the InChIKey of 5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is VRDNDOZPDZYKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-4-6(14)5-7(11-8(4)15)12(2)10(17)13(3)9(5)16/h1-3H3,(H2,11,14,15).
What are the key properties of 5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 237.21 g/mol, XLogP of -1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3,6-trimethyl-8H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 56690564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).