6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C21H19N7 — CID 54222216

IUPAC6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESc1ccc(-c2nc(NCc3ccccn3)nc(NCc3ccccn3)n2)cc1
InChIInChI=1S/C21H19N7/c1-2-8-16(9-3-1)19-26-20(24-14-17-10-4-6-12-22-17)28-21(27-19)25-15-18-11-5-7-13-23-18/h1-13H,14-15H2,(H2,24,25,26,27,28)
InChIKeyQDKAIWWSNKADTM-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.55
Rot. Bonds7

About 6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 54222216) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID54222216
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESc1ccc(-c2nc(NCc3ccccn3)nc(NCc3ccccn3)n2)cc1
InChIInChI=1S/C21H19N7/c1-2-8-16(9-3-1)19-26-20(24-14-17-10-4-6-12-22-17)28-21(27-19)25-15-18-11-5-7-13-23-18/h1-13H,14-15H2,(H2,24,25,26,27,28)
InChIKeyQDKAIWWSNKADTM-UHFFFAOYSA-N
XLogP3.55
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
WZ 811
CID 11565518
VK-19911
CID 9797240
Jnj-38893777
CID 16742146
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Sri-9439
CID 446752
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
Pik-iii
CID 67983123
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 54222216) is 6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine is c1ccc(-c2nc(NCc3ccccn3)nc(NCc3ccccn3)n2)cc1.
What is the InChIKey of 6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QDKAIWWSNKADTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-2-8-16(9-3-1)19-26-20(24-14-17-10-4-6-12-22-17)28-21(27-19)25-15-18-11-5-7-13-23-18/h1-13H,14-15H2,(H2,24,25,26,27,28).
What are the key properties of 6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 369.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-N,4-N-bis(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54222216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).