N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide

C20H16N6O2 — CID 171146176

IUPACN-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide
SMILESO=C(Cn1cnc2nc(-c3cccnc3)ncc2c1=O)NCc1ccccc1
InChIInChI=1S/C20H16N6O2/c27-17(22-9-14-5-2-1-3-6-14)12-26-13-24-19-16(20(26)28)11-23-18(25-19)15-7-4-8-21-10-15/h1-8,10-11,13H,9,12H2,(H,22,27)
InChIKeyMGUSYYFWUWZQAG-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.56
Rot. Bonds5

About N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide

N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 171146176) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID171146176
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide
SMILESO=C(Cn1cnc2nc(-c3cccnc3)ncc2c1=O)NCc1ccccc1
InChIInChI=1S/C20H16N6O2/c27-17(22-9-14-5-2-1-3-6-14)12-26-13-24-19-16(20(26)28)11-23-18(25-19)15-7-4-8-21-10-15/h1-8,10-11,13H,9,12H2,(H,22,27)
InChIKeyMGUSYYFWUWZQAG-UHFFFAOYSA-N
XLogP1.56
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide (CID 171146176) is N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide is O=C(Cn1cnc2nc(-c3cccnc3)ncc2c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is MGUSYYFWUWZQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-17(22-9-14-5-2-1-3-6-14)12-26-13-24-19-16(20(26)28)11-23-18(25-19)15-7-4-8-21-10-15/h1-8,10-11,13H,9,12H2,(H,22,27).
What are the key properties of N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide?
N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 372.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 171146176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).