3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile

C13H21N5O — CID 80984282

IUPAC3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCCc1nc(N)c(C)c(N(CCC#N)CCOC)n1
InChIInChI=1S/C13H21N5O/c1-4-11-16-12(15)10(2)13(17-11)18(7-5-6-14)8-9-19-3/h4-5,7-9H2,1-3H3,(H2,15,16,17)
InChIKeyUXRSWQNVJIBWJM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.30
Rot. Bonds7

About 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile

3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile (PubChem CID 80984282) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
PubChem CID80984282
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCCc1nc(N)c(C)c(N(CCC#N)CCOC)n1
InChIInChI=1S/C13H21N5O/c1-4-11-16-12(15)10(2)13(17-11)18(7-5-6-14)8-9-19-3/h4-5,7-9H2,1-3H3,(H2,15,16,17)
InChIKeyUXRSWQNVJIBWJM-UHFFFAOYSA-N
XLogP1.30
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine
CID 80987431
2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984730
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methoxyethyl)amino]propanenitrile
CID 80814264
N,2-diethyl-6-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80994825
3-[(6-chloro-2-ethylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80936629
3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286373
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829909
3-[(5-amino-6-chloropyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63285179
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829691
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80914663
4-N-(2-ethoxyethyl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 81067549

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile (CID 80984282) is 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile is CCc1nc(N)c(C)c(N(CCC#N)CCOC)n1.
What is the InChIKey of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is UXRSWQNVJIBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-11-16-12(15)10(2)13(17-11)18(7-5-6-14)8-9-19-3/h4-5,7-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 263.34 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 80984282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).