4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane

C19H38N8 — CID 145028947

IUPAC4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
SMILESCC.CC.CC.NCCNc1nc(NCCN)nc(Nc2ccccc2)n1
InChIInChI=1S/C13H20N8.3C2H6/c14-6-8-16-11-19-12(17-9-7-15)21-13(20-11)18-10-4-2-1-3-5-10;3*1-2/h1-5H,6-9,14-15H2,(H3,16,17,18,19,20,21);3*1-2H3
InChIKeyAWTRVHDMDMGAAE-UHFFFAOYSA-N
MW378.57 g/mol
LogP3.43
Rot. Bonds8

About 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane

4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane (PubChem CID 145028947) has the molecular formula C19H38N8 and a molecular weight of 378.57 g/mol. Its IUPAC name is 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane.

Molecular Properties

Compound Name4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
PubChem CID145028947
Molecular FormulaC19H38N8
Molecular Weight378.57 g/mol
Exact Mass378.32
IUPAC Name4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
SMILESCC.CC.CC.NCCNc1nc(NCCN)nc(Nc2ccccc2)n1
InChIInChI=1S/C13H20N8.3C2H6/c14-6-8-16-11-19-12(17-9-7-15)21-13(20-11)18-10-4-2-1-3-5-10;3*1-2/h1-5H,6-9,14-15H2,(H3,16,17,18,19,20,21);3*1-2H3
InChIKeyAWTRVHDMDMGAAE-UHFFFAOYSA-N
XLogP3.43
TPSA126.80 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.57
LogP ≤ 53.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane with MolForge

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Related Compounds

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
ethane;N'-phenylethane-1,2-diamine
CID 91048519
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(4-methylphenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 23984724
4-[2-[[4-[4-[2-[[4-(3-aminopropylamino)-6-anilino-1,3,5-triazin-2-yl]amino]ethyl]anilino]-6-anilino-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11490897
2-N-(4-anilinophenyl)-4-N-hexadecyl-1,3,5-triazine-2,4,6-triamine
CID 110189277
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
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-[(2-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 23901092
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
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
4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11181674
6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11567086

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane?
The IUPAC name of 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane (CID 145028947) is 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane.
What is the SMILES notation for 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane?
The canonical SMILES for 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane is CC.CC.CC.NCCNc1nc(NCCN)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane?
The InChIKey is AWTRVHDMDMGAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8.3C2H6/c14-6-8-16-11-19-12(17-9-7-15)21-13(20-11)18-10-4-2-1-3-5-10;3*1-2/h1-5H,6-9,14-15H2,(H3,16,17,18,19,20,21);3*1-2H3.
What are the key properties of 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane?
4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane has a molecular weight of 378.57 g/mol, XLogP of 3.43, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane is sourced from PubChem (CID 145028947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).