6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine

C56H48N24 — CID 139144276

IUPAC6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1.Nc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1.Nc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1.Nc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/4C14H12N6/c4*15-13-18-12(19-14(16)20-13)11-3-1-9(2-4-11)10-5-7-17-8-6-10/h4*1-8H,(H4,15,16,18,19,20)
InChIKeyRBNIITRGNOXTDH-UHFFFAOYSA-N
MW1057.17 g/mol
LogP7.06
Rot. Bonds8

About 6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine

6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 139144276) has the molecular formula C56H48N24 and a molecular weight of 1057.17 g/mol. Its IUPAC name is 6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID139144276
Molecular FormulaC56H48N24
Molecular Weight1057.17 g/mol
Exact Mass1056.45
IUPAC Name6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1.Nc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1.Nc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1.Nc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1
InChIInChI=1S/4C14H12N6/c4*15-13-18-12(19-14(16)20-13)11-3-1-9(2-4-11)10-5-7-17-8-6-10/h4*1-8H,(H4,15,16,18,19,20)
InChIKeyRBNIITRGNOXTDH-UHFFFAOYSA-N
XLogP7.06
TPSA414.40 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001057.17
LogP ≤ 57.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

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Related Compounds

2,4,6-Tris(4-pyridyl)-1,3,5-triazine
CID 317666
6-(4-methylphenyl)-7-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10273318
1-[3-[4-[3-(2-Amino-5-phenylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-5-phenylpyridin-1-ium-2-amine diiodide
CID 44436188
1,1,2,2-Tetrakis(4-(pyridin-4-yl)phenyl)ethene
CID 90642886
4-(4-Benzylpiperazin-1-yl)-2-phenyl-6-(5-phenylpyridin-3-yl)pyrimidine
CID 4069661
N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3383705
2,4,6-Tris(3-(3-pyridyl)phenyl)-1,3,5-triazine
CID 101523658
2,4,6-Tris(1-methyl-1lambda(5)-pyridin-4-yl)-1,3,5-triazine
CID 494189
1,3,5-Tris(di-2-pyridylaminomethyl)benzene
CID 5242730
2,4,6-Tris(3-pyridyl)-1,3,5-triazine
CID 11472427
N4,N4,N4',N4'-Tetra(pyridin-2-yl)-[1,1'-biphenyl]-4,4'-diamine
CID 15477991
N-[[3-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 53749554

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine (CID 139144276) is 6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1.Nc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1.Nc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1.Nc1nc(N)nc(-c2ccc(-c3ccncc3)cc2)n1.
What is the InChIKey of 6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RBNIITRGNOXTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H12N6/c4*15-13-18-12(19-14(16)20-13)11-3-1-9(2-4-11)10-5-7-17-8-6-10/h4*1-8H,(H4,15,16,18,19,20).
What are the key properties of 6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine?
6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1057.17 g/mol, XLogP of 7.06, 8 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139144276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).