1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione

C14H12N4O3 — CID 154853984

IUPAC1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione
SMILESCn1ccn(Cc2cc(=O)n3ccccc3n2)c(=O)c1=O
InChIInChI=1S/C14H12N4O3/c1-16-6-7-17(14(21)13(16)20)9-10-8-12(19)18-5-3-2-4-11(18)15-10/h2-8H,9H2,1H3
InChIKeyVUIUFUQXNXWGLB-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.40
Rot. Bonds2

About 1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione

1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione (PubChem CID 154853984) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione
PubChem CID154853984
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione
SMILESCn1ccn(Cc2cc(=O)n3ccccc3n2)c(=O)c1=O
InChIInChI=1S/C14H12N4O3/c1-16-6-7-17(14(21)13(16)20)9-10-8-12(19)18-5-3-2-4-11(18)15-10/h2-8H,9H2,1H3
InChIKeyVUIUFUQXNXWGLB-UHFFFAOYSA-N
XLogP-0.40
TPSA78.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione (CID 154853984) is 1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione is Cn1ccn(Cc2cc(=O)n3ccccc3n2)c(=O)c1=O.
What is the InChIKey of 1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione?
The InChIKey is VUIUFUQXNXWGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-16-6-7-17(14(21)13(16)20)9-10-8-12(19)18-5-3-2-4-11(18)15-10/h2-8H,9H2,1H3.
What are the key properties of 1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione?
1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione has a molecular weight of 284.28 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 154853984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).