3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile

C20H19N5 — CID 133290956

IUPAC3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
SMILESCCc1cc(N(C)Cc2cccc(C#N)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C20H19N5/c1-3-17-12-19(24-20(23-17)18-9-4-5-10-22-18)25(2)14-16-8-6-7-15(11-16)13-21/h4-12H,3,14H2,1-2H3
InChIKeyUCIWCGMQNDGVBT-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.61
Rot. Bonds5

About 3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile

3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile (PubChem CID 133290956) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
PubChem CID133290956
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
SMILESCCc1cc(N(C)Cc2cccc(C#N)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C20H19N5/c1-3-17-12-19(24-20(23-17)18-9-4-5-10-22-18)25(2)14-16-8-6-7-15(11-16)13-21/h4-12H,3,14H2,1-2H3
InChIKeyUCIWCGMQNDGVBT-UHFFFAOYSA-N
XLogP3.61
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133291035
3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 62968974
3-[[(5-fluoro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 62968970
3-[[(6-chloropyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 55141171
3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile
CID 133294715
3-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 80918950
4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 133290960
3-[[(2-amino-6-methoxypyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 103824452
6-(2-aminoethyl)-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 51598656
3-[[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]methyl]benzonitrile
CID 137015999
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile (CID 133290956) is 3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile is CCc1cc(N(C)Cc2cccc(C#N)c2)nc(-c2ccccn2)n1.
What is the InChIKey of 3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile?
The InChIKey is UCIWCGMQNDGVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-3-17-12-19(24-20(23-17)18-9-4-5-10-22-18)25(2)14-16-8-6-7-15(11-16)13-21/h4-12H,3,14H2,1-2H3.
What are the key properties of 3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile?
3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile has a molecular weight of 329.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile is sourced from PubChem (CID 133290956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).