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

C14H15N5O2 — CID 80865498

IUPAC2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
SMILESCCOc1nc(NC)nc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C14H15N5O2/c1-3-20-13-17-12(16-2)18-14(19-13)21-11-6-4-10(5-7-11)8-9-15/h4-7H,3,8H2,1-2H3,(H,16,17,18,19)
InChIKeyBLYRFILIORDEOJ-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.17
Rot. Bonds6

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

2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile (PubChem CID 80865498) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
PubChem CID80865498
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
SMILESCCOc1nc(NC)nc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C14H15N5O2/c1-3-20-13-17-12(16-2)18-14(19-13)21-11-6-4-10(5-7-11)8-9-15/h4-7H,3,8H2,1-2H3,(H,16,17,18,19)
InChIKeyBLYRFILIORDEOJ-UHFFFAOYSA-N
XLogP2.17
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
2-[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864152
4-methoxy-N-methyl-6-(4-propylphenoxy)-1,3,5-triazin-2-amine
CID 80878901
6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80771579
4-ethoxy-N-ethyl-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863510
4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116794366
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346
2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
CID 62859372
4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
2-[cyanomethyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 80753645
4-ethoxy-6-(4-fluorophenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865729
4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80866586

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile (CID 80865498) is 2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile is CCOc1nc(NC)nc(Oc2ccc(CC#N)cc2)n1.
What is the InChIKey of 2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile?
The InChIKey is BLYRFILIORDEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-3-20-13-17-12(16-2)18-14(19-13)21-11-6-4-10(5-7-11)8-9-15/h4-7H,3,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile?
2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile has a molecular weight of 285.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile is sourced from PubChem (CID 80865498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).