4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine

C19H22N8 — CID 143193149

IUPAC4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1cccc(Nc2nc(Nc3cccc(N)c3)nc(NC3CC3)n2)c1
InChIInChI=1S/C19H22N8/c1-21-14-5-3-7-16(11-14)24-19-26-17(22-13-8-9-13)25-18(27-19)23-15-6-2-4-12(20)10-15/h2-7,10-11,13,21H,8-9,20H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyFGRWGLBSIFKEKY-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.56
Rot. Bonds7

About 4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine

4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 143193149) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID143193149
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1cccc(Nc2nc(Nc3cccc(N)c3)nc(NC3CC3)n2)c1
InChIInChI=1S/C19H22N8/c1-21-14-5-3-7-16(11-14)24-19-26-17(22-13-8-9-13)25-18(27-19)23-15-6-2-4-12(20)10-15/h2-7,10-11,13,21H,8-9,20H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyFGRWGLBSIFKEKY-UHFFFAOYSA-N
XLogP3.56
TPSA112.81 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine (CID 143193149) is 4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine is CNc1cccc(Nc2nc(Nc3cccc(N)c3)nc(NC3CC3)n2)c1.
What is the InChIKey of 4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FGRWGLBSIFKEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-21-14-5-3-7-16(11-14)24-19-26-17(22-13-8-9-13)25-18(27-19)23-15-6-2-4-12(20)10-15/h2-7,10-11,13,21H,8-9,20H2,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine?
4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 362.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 143193149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).