4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile

C20H19N5 — CID 133290960

IUPAC4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
SMILESCc1nc(-c2ccccn2)nc(N(C)Cc2ccc(C#N)cc2)c1C
InChIInChI=1S/C20H19N5/c1-14-15(2)23-19(18-6-4-5-11-22-18)24-20(14)25(3)13-17-9-7-16(12-21)8-10-17/h4-11H,13H2,1-3H3
InChIKeyQNANUORFCDEEPY-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.66
Rot. Bonds4

About 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile

4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile (PubChem CID 133290960) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
PubChem CID133290960
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
SMILESCc1nc(-c2ccccn2)nc(N(C)Cc2ccc(C#N)cc2)c1C
InChIInChI=1S/C20H19N5/c1-14-15(2)23-19(18-6-4-5-11-22-18)24-20(14)25(3)13-17-9-7-16(12-21)8-10-17/h4-11H,13H2,1-3H3
InChIKeyQNANUORFCDEEPY-UHFFFAOYSA-N
XLogP3.66
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile with MolForge

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56587593
N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584468
N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584629
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584826
N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 56563771
3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 133290956
4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile
CID 133489486
4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 133373673
N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine
CID 166336127
2-(4-cyanophenyl)-N-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)acetamide
CID 137429648
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745820

Frequently Asked Questions

What is the IUPAC name of 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile?
The IUPAC name of 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile (CID 133290960) is 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile is Cc1nc(-c2ccccn2)nc(N(C)Cc2ccc(C#N)cc2)c1C.
What is the InChIKey of 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile?
The InChIKey is QNANUORFCDEEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-14-15(2)23-19(18-6-4-5-11-22-18)24-20(14)25(3)13-17-9-7-16(12-21)8-10-17/h4-11H,13H2,1-3H3.
What are the key properties of 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile?
4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile has a molecular weight of 329.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile is sourced from PubChem (CID 133290960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).