4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide

C8H6N4O2 — CID 22397234

IUPAC4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnc2ncccn2c1=O
InChIInChI=1S/C8H6N4O2/c9-6(13)5-4-11-8-10-2-1-3-12(8)7(5)14/h1-4H,(H2,9,13)
InChIKeyGDARTZASXHXMQQ-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.81
Rot. Bonds1

About 4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide

4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 22397234) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide
PubChem CID22397234
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnc2ncccn2c1=O
InChIInChI=1S/C8H6N4O2/c9-6(13)5-4-11-8-10-2-1-3-12(8)7(5)14/h1-4H,(H2,9,13)
InChIKeyGDARTZASXHXMQQ-UHFFFAOYSA-N
XLogP-0.81
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide (CID 22397234) is 4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide is NC(=O)c1cnc2ncccn2c1=O.
What is the InChIKey of 4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GDARTZASXHXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c9-6(13)5-4-11-8-10-2-1-3-12(8)7(5)14/h1-4H,(H2,9,13).
What are the key properties of 4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide?
4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 190.16 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopyrimido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 22397234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).