3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile

C10H14N4O — CID 63286973

IUPAC3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1ncccn1
InChIInChI=1S/C10H14N4O/c1-15-9-8-14(7-2-4-11)10-12-5-3-6-13-10/h3,5-6H,2,7-9H2,1H3
InChIKeyLCPAAWWPUFRXMF-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.84
Rot. Bonds6

About 3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile

3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile (PubChem CID 63286973) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
PubChem CID63286973
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1ncccn1
InChIInChI=1S/C10H14N4O/c1-15-9-8-14(7-2-4-11)10-12-5-3-6-13-10/h3,5-6H,2,7-9H2,1H3
InChIKeyLCPAAWWPUFRXMF-UHFFFAOYSA-N
XLogP0.84
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile
CID 55218453
3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile
CID 63286635
N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63287337
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829691
3-[2-methoxyethyl-(5-methoxyisoquinolin-1-yl)amino]propanenitrile
CID 106536675
3-[2-ethylbutyl(pyrimidin-2-yl)amino]propanenitrile
CID 75432376
6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 64587966
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 80814007
3-[2-methoxyethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]propanenitrile
CID 103385221
3-[(5-amino-6-chloropyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63285179
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile (CID 63286973) is 3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile is COCCN(CCC#N)c1ncccn1.
What is the InChIKey of 3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile?
The InChIKey is LCPAAWWPUFRXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-15-9-8-14(7-2-4-11)10-12-5-3-6-13-10/h3,5-6H,2,7-9H2,1H3.
What are the key properties of 3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile?
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile has a molecular weight of 206.25 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile is sourced from PubChem (CID 63286973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).