N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine

C26H26N4 — CID 46979349

IUPACN-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(-c2ncc(CN(Cc3ccccc3)Cc3cccc(C)n3)cn2)cc1
InChIInChI=1S/C26H26N4/c1-20-11-13-24(14-12-20)26-27-15-23(16-28-26)18-30(17-22-8-4-3-5-9-22)19-25-10-6-7-21(2)29-25/h3-16H,17-19H2,1-2H3
InChIKeyNNRAAVQIFLJNEG-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.36
Rot. Bonds7

About N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine

N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine (PubChem CID 46979349) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
PubChem CID46979349
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC NameN-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(-c2ncc(CN(Cc3ccccc3)Cc3cccc(C)n3)cn2)cc1
InChIInChI=1S/C26H26N4/c1-20-11-13-24(14-12-20)26-27-15-23(16-28-26)18-30(17-22-8-4-3-5-9-22)19-25-10-6-7-21(2)29-25/h3-16H,17-19H2,1-2H3
InChIKeyNNRAAVQIFLJNEG-UHFFFAOYSA-N
XLogP5.36
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
N,N'-dibenzyl-N-[3-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]propyl]-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 102022894
N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
CID 84591264
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
4-[[(6-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 79267111
5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112
N-[[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-5-nitrophenyl]methyl]-1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102180294
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 110245160

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine (CID 46979349) is N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine is Cc1ccc(-c2ncc(CN(Cc3ccccc3)Cc3cccc(C)n3)cn2)cc1.
What is the InChIKey of N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The InChIKey is NNRAAVQIFLJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-20-11-13-24(14-12-20)26-27-15-23(16-28-26)18-30(17-22-8-4-3-5-9-22)19-25-10-6-7-21(2)29-25/h3-16H,17-19H2,1-2H3.
What are the key properties of N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine has a molecular weight of 394.52 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 46979349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).