6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C14H15Cl2N10P — CID 118921034

IUPAC6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESPNc1nc(Cl)nc(NCCNc2nc(Cl)nc(Nc3ccccc3)n2)n1
InChIInChI=1S/C14H15Cl2N10P/c15-9-20-11(24-13(22-9)19-8-4-2-1-3-5-8)17-6-7-18-12-21-10(16)23-14(25-12)26-27/h1-5H,6-7,27H2,(H2,17,19,20,22,24)(H2,18,21,23,25,26)
InChIKeyYSOUMCBJEHCECW-UHFFFAOYSA-N
MW425.22 g/mol
LogP2.83
Rot. Bonds8

About 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 118921034) has the molecular formula C14H15Cl2N10P and a molecular weight of 425.22 g/mol. Its IUPAC name is 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID118921034
Molecular FormulaC14H15Cl2N10P
Molecular Weight425.22 g/mol
Exact Mass424.06
IUPAC Name6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESPNc1nc(Cl)nc(NCCNc2nc(Cl)nc(Nc3ccccc3)n2)n1
InChIInChI=1S/C14H15Cl2N10P/c15-9-20-11(24-13(22-9)19-8-4-2-1-3-5-8)17-6-7-18-12-21-10(16)23-14(25-12)26-27/h1-5H,6-7,27H2,(H2,17,19,20,22,24)(H2,18,21,23,25,26)
InChIKeyYSOUMCBJEHCECW-UHFFFAOYSA-N
XLogP2.83
TPSA125.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.22
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
6-N-[5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]pentyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 20775300
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 145028947
2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 2837386
bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
4-[2-[[4-anilino-6-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11445284
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
6-chloro-2-N-(4-nitrophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 4187713
sodium 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate
CID 20695608
6-chloro-2-N-(2,6-dibromo-4-methylphenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 118715065
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53418673

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 118921034) is 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is PNc1nc(Cl)nc(NCCNc2nc(Cl)nc(Nc3ccccc3)n2)n1.
What is the InChIKey of 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YSOUMCBJEHCECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N10P/c15-9-20-11(24-13(22-9)19-8-4-2-1-3-5-8)17-6-7-18-12-21-10(16)23-14(25-12)26-27/h1-5H,6-7,27H2,(H2,17,19,20,22,24)(H2,18,21,23,25,26).
What are the key properties of 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 425.22 g/mol, XLogP of 2.83, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-[[4-chloro-6-(phosphanylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118921034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).