2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile

C13H14N6O — CID 80864618

IUPAC2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
SMILESCN(C)c1nc(N)nc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C13H14N6O/c1-19(2)12-16-11(15)17-13(18-12)20-10-5-3-9(4-6-10)7-8-14/h3-6H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyIIOQJVCXYDDBDV-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.38
Rot. Bonds4

About 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile

2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile (PubChem CID 80864618) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
PubChem CID80864618
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
SMILESCN(C)c1nc(N)nc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C13H14N6O/c1-19(2)12-16-11(15)17-13(18-12)20-10-5-3-9(4-6-10)7-8-14/h3-6H,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyIIOQJVCXYDDBDV-UHFFFAOYSA-N
XLogP1.38
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile with MolForge

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Related Compounds

6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80867209
6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 177451531
6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80881203
4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62870135
4-(4-ethylphenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915253
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
[4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]phenyl]methanol
CID 80870447
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80869270
2-N,2-N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazine-2,4-diamine
CID 80869066
2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80880955
2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
CID 80865498

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile (CID 80864618) is 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile is CN(C)c1nc(N)nc(Oc2ccc(CC#N)cc2)n1.
What is the InChIKey of 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile?
The InChIKey is IIOQJVCXYDDBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-19(2)12-16-11(15)17-13(18-12)20-10-5-3-9(4-6-10)7-8-14/h3-6H,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile?
2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile has a molecular weight of 270.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile is sourced from PubChem (CID 80864618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).