4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile

C15H18N6O — CID 91643412

IUPAC4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1OCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C15H18N6O/c1-9-5-11(7-16)6-10(2)13(9)22-8-12-18-14(17)20-15(19-12)21(3)4/h5-6H,8H2,1-4H3,(H2,17,18,19,20)
InChIKeyPZGRZYPYFXMMOW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.59
Rot. Bonds4

About 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile

4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile (PubChem CID 91643412) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile
PubChem CID91643412
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1OCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C15H18N6O/c1-9-5-11(7-16)6-10(2)13(9)22-8-12-18-14(17)20-15(19-12)21(3)4/h5-6H,8H2,1-4H3,(H2,17,18,19,20)
InChIKeyPZGRZYPYFXMMOW-UHFFFAOYSA-N
XLogP1.59
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile (CID 91643412) is 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile is Cc1cc(C#N)cc(C)c1OCc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile?
The InChIKey is PZGRZYPYFXMMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-9-5-11(7-16)6-10(2)13(9)22-8-12-18-14(17)20-15(19-12)21(3)4/h5-6H,8H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile?
4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile has a molecular weight of 298.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 91643412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).