3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile

C24H19N5O — CID 171485729

IUPAC3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile
SMILESCc1cc(C#N)cc(-c2cc(-c3ccn(Cc4ccccc4)c(=O)c3)nc(N)n2)c1
InChIInChI=1S/C24H19N5O/c1-16-9-18(14-25)11-20(10-16)22-13-21(27-24(26)28-22)19-7-8-29(23(30)12-19)15-17-5-3-2-4-6-17/h2-13H,15H2,1H3,(H2,26,27,28)
InChIKeyPUQZTLLYNCHXSI-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.78
Rot. Bonds4

About 3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile

3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile (PubChem CID 171485729) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile.

Molecular Properties

Compound Name3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile
PubChem CID171485729
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile
SMILESCc1cc(C#N)cc(-c2cc(-c3ccn(Cc4ccccc4)c(=O)c3)nc(N)n2)c1
InChIInChI=1S/C24H19N5O/c1-16-9-18(14-25)11-20(10-16)22-13-21(27-24(26)28-22)19-7-8-29(23(30)12-19)15-17-5-3-2-4-6-17/h2-13H,15H2,1H3,(H2,26,27,28)
InChIKeyPUQZTLLYNCHXSI-UHFFFAOYSA-N
XLogP3.78
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile?
The IUPAC name of 3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile (CID 171485729) is 3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile.
What is the SMILES notation for 3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile?
The canonical SMILES for 3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile is Cc1cc(C#N)cc(-c2cc(-c3ccn(Cc4ccccc4)c(=O)c3)nc(N)n2)c1.
What is the InChIKey of 3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile?
The InChIKey is PUQZTLLYNCHXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-16-9-18(14-25)11-20(10-16)22-13-21(27-24(26)28-22)19-7-8-29(23(30)12-19)15-17-5-3-2-4-6-17/h2-13H,15H2,1H3,(H2,26,27,28).
What are the key properties of 3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile?
3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile has a molecular weight of 393.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(1-benzyl-2-oxo-4-pyridinyl)pyrimidin-4-yl]-5-methylbenzonitrile is sourced from PubChem (CID 171485729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).