8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide

C16H12N6O2 — CID 164614445

IUPAC8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)Nc3ccncn3)ccn12
InChIInChI=1S/C16H12N6O2/c1-24-10-2-3-13-12(8-10)20-16-19-11(5-7-22(13)16)15(23)21-14-4-6-17-9-18-14/h2-9H,1H3,(H,17,18,21,23)
InChIKeyMOUCAUJNNDFFLW-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.93
Rot. Bonds3

About 8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide

8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 164614445) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID164614445
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)Nc3ccncn3)ccn12
InChIInChI=1S/C16H12N6O2/c1-24-10-2-3-13-12(8-10)20-16-19-11(5-7-22(13)16)15(23)21-14-4-6-17-9-18-14/h2-9H,1H3,(H,17,18,21,23)
InChIKeyMOUCAUJNNDFFLW-UHFFFAOYSA-N
XLogP1.93
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide (CID 164614445) is 8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide is COc1ccc2c(c1)nc1nc(C(=O)Nc3ccncn3)ccn12.
What is the InChIKey of 8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is MOUCAUJNNDFFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c1-24-10-2-3-13-12(8-10)20-16-19-11(5-7-22(13)16)15(23)21-14-4-6-17-9-18-14/h2-9H,1H3,(H,17,18,21,23).
What are the key properties of 8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide?
8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-pyrimidin-4-ylpyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 164614445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).