N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline

C22H21N5 — CID 123330936

IUPACN-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline
SMILESCN1C(c2ccccc2)=NC(CNc2ccccc2)=NC1c1cccnc1
InChIInChI=1S/C22H21N5/c1-27-21(17-9-4-2-5-10-17)25-20(16-24-19-12-6-3-7-13-19)26-22(27)18-11-8-14-23-15-18/h2-15,22,24H,16H2,1H3
InChIKeyCWGULWDFIUKXDU-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.98
Rot. Bonds5

About N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline

N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline (PubChem CID 123330936) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline
PubChem CID123330936
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC NameN-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline
SMILESCN1C(c2ccccc2)=NC(CNc2ccccc2)=NC1c1cccnc1
InChIInChI=1S/C22H21N5/c1-27-21(17-9-4-2-5-10-17)25-20(16-24-19-12-6-3-7-13-19)26-22(27)18-11-8-14-23-15-18/h2-15,22,24H,16H2,1H3
InChIKeyCWGULWDFIUKXDU-UHFFFAOYSA-N
XLogP3.98
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline with MolForge

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Related Compounds

3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine
CID 781274
4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine
CID 170004068
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
10-methyl-9,22-diphenyl-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,12,14,16(29),17(28),18,20,23,25-tetradecaene
CID 138601064
N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
CID 53494006
1-methyl-5-phenyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 51361863
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide
CID 77085057
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
3-(5,5-dimethyl-3-oxido-4-phenyl-4H-imidazol-2-yl)pyridine
CID 163179161
N-[(1,4-dimethylpyrazol-3-yl)methyl]pyridin-3-amine
CID 136558666
N-[(5-ethylfuran-2-yl)methyl]pyridin-3-amine
CID 62347373

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline?
The IUPAC name of N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline (CID 123330936) is N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline.
What is the SMILES notation for N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline?
The canonical SMILES for N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline is CN1C(c2ccccc2)=NC(CNc2ccccc2)=NC1c1cccnc1.
What is the InChIKey of N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline?
The InChIKey is CWGULWDFIUKXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-27-21(17-9-4-2-5-10-17)25-20(16-24-19-12-6-3-7-13-19)26-22(27)18-11-8-14-23-15-18/h2-15,22,24H,16H2,1H3.
What are the key properties of N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline?
N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline has a molecular weight of 355.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-phenyl-2-pyridin-3-yl-2H-1,3,5-triazin-4-yl)methyl]aniline is sourced from PubChem (CID 123330936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).