4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile

C20H21N7 — CID 505529

IUPAC4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
SMILESCc1cc(C)c(N(C)c2nc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1
InChIInChI=1S/C20H21N7/c1-12-9-13(2)17(14(3)10-12)27(4)20-25-18(22)24-19(26-20)23-16-7-5-15(11-21)6-8-16/h5-10H,1-4H3,(H3,22,23,24,25,26)
InChIKeyYZFONMVHHPTCCK-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.76
Rot. Bonds4

About 4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile

4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile (PubChem CID 505529) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
PubChem CID505529
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
SMILESCc1cc(C)c(N(C)c2nc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1
InChIInChI=1S/C20H21N7/c1-12-9-13(2)17(14(3)10-12)27(4)20-25-18(22)24-19(26-20)23-16-7-5-15(11-21)6-8-16/h5-10H,1-4H3,(H3,22,23,24,25,26)
InChIKeyYZFONMVHHPTCCK-UHFFFAOYSA-N
XLogP3.76
TPSA103.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile (CID 505529) is 4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile is Cc1cc(C)c(N(C)c2nc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)c1.
What is the InChIKey of 4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile?
The InChIKey is YZFONMVHHPTCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-12-9-13(2)17(14(3)10-12)27(4)20-25-18(22)24-19(26-20)23-16-7-5-15(11-21)6-8-16/h5-10H,1-4H3,(H3,22,23,24,25,26).
What are the key properties of 4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile?
4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile has a molecular weight of 359.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-(N,2,4,6-tetramethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile is sourced from PubChem (CID 505529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).