2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine

C16H16N8 — CID 71395305

IUPAC2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine
SMILESNC(=Nc1nc(N)nc(Nc2ccccc2)n1)Nc1ccccc1
InChIInChI=1S/C16H16N8/c17-13(19-11-7-3-1-4-8-11)21-16-23-14(18)22-15(24-16)20-12-9-5-2-6-10-12/h1-10H,(H6,17,18,19,20,21,22,23,24)
InChIKeyMCOGFJYXCMNAQN-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.26
Rot. Bonds4

About 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine

2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine (PubChem CID 71395305) has the molecular formula C16H16N8 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine
PubChem CID71395305
Molecular FormulaC16H16N8
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine
SMILESNC(=Nc1nc(N)nc(Nc2ccccc2)n1)Nc1ccccc1
InChIInChI=1S/C16H16N8/c17-13(19-11-7-3-1-4-8-11)21-16-23-14(18)22-15(24-16)20-12-9-5-2-6-10-12/h1-10H,(H6,17,18,19,20,21,22,23,24)
InChIKeyMCOGFJYXCMNAQN-UHFFFAOYSA-N
XLogP2.26
TPSA127.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101453864
2-N-[2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-1,2-diphenylethenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 141338844
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 141026020
[2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol
CID 155540592
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
2-(2-methylpyrimidin-4-yl)-1-phenylguanidine
CID 70039227
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
CID 2864540
5-nitroso-2-N-phenylpyrimidine-2,4,6-triamine
CID 46705553
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine?
The IUPAC name of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine (CID 71395305) is 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine?
The canonical SMILES for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine is NC(=Nc1nc(N)nc(Nc2ccccc2)n1)Nc1ccccc1.
What is the InChIKey of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine?
The InChIKey is MCOGFJYXCMNAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8/c17-13(19-11-7-3-1-4-8-11)21-16-23-14(18)22-15(24-16)20-12-9-5-2-6-10-12/h1-10H,(H6,17,18,19,20,21,22,23,24).
What are the key properties of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine?
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine has a molecular weight of 320.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine is sourced from PubChem (CID 71395305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).