6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C11H11N3O3 — CID 56763526

IUPAC6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)c1cc2c(=O)[nH]c(=O)n(C)c2nc1C
InChIInChI=1S/C11H11N3O3/c1-5-7(6(2)15)4-8-9(12-5)14(3)11(17)13-10(8)16/h4H,1-3H3,(H,13,16,17)
InChIKeyMFJNTYWXWQOOMM-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.13
Rot. Bonds1

About 6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 56763526) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID56763526
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)c1cc2c(=O)[nH]c(=O)n(C)c2nc1C
InChIInChI=1S/C11H11N3O3/c1-5-7(6(2)15)4-8-9(12-5)14(3)11(17)13-10(8)16/h4H,1-3H3,(H,13,16,17)
InChIKeyMFJNTYWXWQOOMM-UHFFFAOYSA-N
XLogP0.13
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 56763526) is 6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CC(=O)c1cc2c(=O)[nH]c(=O)n(C)c2nc1C.
What is the InChIKey of 6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MFJNTYWXWQOOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-5-7(6(2)15)4-8-9(12-5)14(3)11(17)13-10(8)16/h4H,1-3H3,(H,13,16,17).
What are the key properties of 6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 233.23 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56763526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).