3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile

C11H18N6O2 — CID 80829691

IUPAC3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCCOc1nc(N)nc(N(CCC#N)CCOC)n1
InChIInChI=1S/C11H18N6O2/c1-3-19-11-15-9(13)14-10(16-11)17(6-4-5-12)7-8-18-2/h3-4,6-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyKZXIKYQKKFTGDF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.22
Rot. Bonds8

About 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile

3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile (PubChem CID 80829691) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
PubChem CID80829691
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCCOc1nc(N)nc(N(CCC#N)CCOC)n1
InChIInChI=1S/C11H18N6O2/c1-3-19-11-15-9(13)14-10(16-11)17(6-4-5-12)7-8-18-2/h3-4,6-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyKZXIKYQKKFTGDF-UHFFFAOYSA-N
XLogP0.22
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 80814007
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865
6-ethoxy-2-N,2-N-bis(2-methoxyethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80795238
2-N,2-N-bis(2-methoxyethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80795772
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
CID 80812627
6-ethoxy-4-N-ethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80780544
3-[3-amino-5-ethoxy-N-(2-methoxyethyl)anilino]propanenitrile
CID 80734657
2-N-(1-cyclopropylethyl)-6-ethoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80820940
2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
CID 80865247
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile (CID 80829691) is 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile is CCOc1nc(N)nc(N(CCC#N)CCOC)n1.
What is the InChIKey of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is KZXIKYQKKFTGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-3-19-11-15-9(13)14-10(16-11)17(6-4-5-12)7-8-18-2/h3-4,6-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile?
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 266.30 g/mol, XLogP of 0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 80829691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).