3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile

C11H15BrN4 — CID 66340300

IUPAC3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1ncncc1Br
InChIInChI=1S/C11H15BrN4/c1-9(2)7-16(5-3-4-13)11-10(12)6-14-8-15-11/h6,8-9H,3,5,7H2,1-2H3
InChIKeyLCFJHQWEIDNVDC-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.62
Rot. Bonds5

About 3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile

3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile (PubChem CID 66340300) has the molecular formula C11H15BrN4 and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
PubChem CID66340300
Molecular FormulaC11H15BrN4
Molecular Weight283.17 g/mol
Exact Mass282.05
IUPAC Name3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1ncncc1Br
InChIInChI=1S/C11H15BrN4/c1-9(2)7-16(5-3-4-13)11-10(12)6-14-8-15-11/h6,8-9H,3,5,7H2,1-2H3
InChIKeyLCFJHQWEIDNVDC-UHFFFAOYSA-N
XLogP2.62
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 66343198
3-[(5-bromopyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 66340342
2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 66341302
5-bromo-N-(2-chloroethyl)-N-ethylpyrimidin-4-amine
CID 66320500
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
CID 80900553
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812628
(2S)-1-[(5-bromopyrimidin-4-yl)-methylamino]propan-2-ol
CID 131203459
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 79033246
3-[2-methylpropyl(phthalazin-1-yl)amino]propanenitrile
CID 54941310
3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812725
3-[(4-chlorophthalazin-1-yl)-(2-methylpropyl)amino]propanenitrile
CID 62142333
3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812098

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile (CID 66340300) is 3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCC#N)c1ncncc1Br.
What is the InChIKey of 3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile?
The InChIKey is LCFJHQWEIDNVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4/c1-9(2)7-16(5-3-4-13)11-10(12)6-14-8-15-11/h6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile?
3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile has a molecular weight of 283.17 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 66340300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).