3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile

C10H13BrN4 — CID 66343198

IUPAC3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ncncc1Br
InChIInChI=1S/C10H13BrN4/c1-3-15(6-8(2)4-12)10-9(11)5-13-7-14-10/h5,7-8H,3,6H2,1-2H3
InChIKeyAVBPSVBAUWIUFL-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.23
Rot. Bonds4

About 3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile

3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile (PubChem CID 66343198) has the molecular formula C10H13BrN4 and a molecular weight of 269.15 g/mol. Its IUPAC name is 3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
PubChem CID66343198
Molecular FormulaC10H13BrN4
Molecular Weight269.15 g/mol
Exact Mass268.03
IUPAC Name3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ncncc1Br
InChIInChI=1S/C10H13BrN4/c1-3-15(6-8(2)4-12)10-9(11)5-13-7-14-10/h5,7-8H,3,6H2,1-2H3
InChIKeyAVBPSVBAUWIUFL-UHFFFAOYSA-N
XLogP2.23
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromopyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
CID 66340300
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropanenitrile
CID 80806926
3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanenitrile
CID 83065176
5-bromo-N-(2-chloroethyl)-N-ethylpyrimidin-4-amine
CID 66320500
2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 66341302
3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 112675420
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 136972929
3-[[5-(bromomethyl)-3-methyl-2-pyridinyl]-ethylamino]-2-methylpropanenitrile
CID 107081792
3-[(5-aminopyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 79917514
(2S)-1-[(5-bromopyrimidin-4-yl)-methylamino]propan-2-ol
CID 131203459
3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 80653025
3-[ethyl-[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanenitrile
CID 80805778

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile (CID 66343198) is 3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1ncncc1Br.
What is the InChIKey of 3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is AVBPSVBAUWIUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4/c1-3-15(6-8(2)4-12)10-9(11)5-13-7-14-10/h5,7-8H,3,6H2,1-2H3.
What are the key properties of 3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile?
3-[(5-bromopyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 269.15 g/mol, XLogP of 2.23, 4 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)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 66343198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).